N-(1-(2,2-dimethyl-5-undecyl-1,3-dioxolan-4-yl)-2-hydroxyethyl)stearamide (C36H71NO4)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]1[C@H](OC(O1)(C)C)CCCCCCCCCCC

InChI

InChI=1S/C36H71NO4/c1-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-34(39)37-32(31-38)35-33(40-36(3,4)41-35)29-27-25-23-21-14-12-10-8-6-2/h32-33,35,38H,5-31H2,1-4H3,(H,37,39)/t32-,33+,35+/m0/s1

InChIKey

YSGBEFDGBKQJTK-VUHKNJSWSA-N

Compound name

N-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-undecyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]octadecanamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	582.545576	264.4
[M+Na]+	604.527518	259.2
[M-H]-	580.531024	262.6
[M+NH4]+	599.572123	266.1
[M+K]+	620.501458	255.0
[M+H-H2O]+	564.535560	256.0
[M+HCOO]-	626.536501	277.1
[M+CH3COO]-	640.552151	263.9
[M+Na-2H]-	602.512966	254.3
[M]+	581.53775142	275.0
[M]-	581.53884858	275.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

582.545576

264.4

[M+Na]+

604.527518

259.2

[M-H]-

580.531024

262.6

[M+NH4]+

599.572123

266.1

[M+K]+

620.501458

255.0

[M+H-H2O]+

564.535560

256.0

[M+HCOO]-

626.536501

277.1

[M+CH3COO]-

640.552151

263.9

[M+Na-2H]-

602.512966

254.3

[M]+

581.53775142

275.0

[M]-

581.53884858

275.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-(1-(2,2-dimethyl-5-undecyl-1,3-dioxolan-4-yl)-2-hydroxyethyl)stearamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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