PubChemLite - 376588-17-9 (C38H71NO6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1(COC2(CC(N(C(C2C)(C)CC)OC(=O)C)(C)CC)OC1)CC

InChI

InChI=1S/C38H71NO6/c1-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-34(41)42-29-37(12-4)30-43-38(44-31-37)28-35(7,10-2)39(45-33(6)40)36(8,11-3)32(38)5/h32H,9-31H2,1-8H3

InChIKey

GGZAHARVCVECSS-UHFFFAOYSA-N

Compound name

(9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl octadecanoate

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]+	638.53542	254.9
[M+Na]+	660.51736	253.2
[M-H]-	636.52086	255.7
[M+NH4]+	655.56196	260.7
[M+K]+	676.49130	253.0
[M+H-H2O]+	620.52540	247.8
[M+HCOO]-	682.52634	258.8
[M+CH3COO]-	696.54199	270.8
[M+Na-2H]-	658.50281	250.0
[M]+	637.52759	265.6
[M]-	637.52869	265.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

638.53542

254.9

[M+Na]+

660.51736

253.2

[M-H]-

636.52086

255.7

[M+NH4]+

655.56196

260.7

[M+K]+

676.49130

253.0

[M+H-H2O]+

620.52540

247.8

[M+HCOO]-

682.52634

258.8

[M+CH3COO]-

696.54199

270.8

[M+Na-2H]-

658.50281

250.0

[M]+

637.52759

265.6

[M]-

637.52869

265.6

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

376588-17-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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