PubChemLite - N-(15-methyl-3-(13-methyl-tetradecanoyloxy)-hexadecanoyl)-glycine (C34H65NO5)

Structural Information

Molecular Formula

SMILES

CC(C)CCCCCCCCCCC[C@H](CC(=O)NCC(=O)O)OC(=O)CCCCCCCCCCCC(C)C

InChI

InChI=1S/C34H65NO5/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-31(27-32(36)35-28-33(37)38)40-34(39)26-22-18-14-10-6-8-12-16-20-24-30(3)4/h29-31H,5-28H2,1-4H3,(H,35,36)(H,37,38)/t31-/m1/s1

InChIKey

OYOGBQCTBJMFBW-WJOKGBTCSA-N

Compound name

2-[[(3R)-15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]acetic acid

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]+	568.49355	252.2
[M+Na]+	590.47549	260.1
[M-H]-	566.47899	246.2
[M+NH4]+	585.52009	258.3
[M+K]+	606.44943	261.1
[M+H-H2O]+	550.48353	253.3
[M+HCOO]-	612.48447	246.3
[M+CH3COO]-	626.50012	262.2
[M+Na-2H]-	588.46094	238.5
[M]+	567.48572	249.6
[M]-	567.48682	249.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

568.49355

252.2

[M+Na]+

590.47549

260.1

[M-H]-

566.47899

246.2

[M+NH4]+

585.52009

258.3

[M+K]+

606.44943

261.1

[M+H-H2O]+

550.48353

253.3

[M+HCOO]-

612.48447

246.3

[M+CH3COO]-

626.50012

262.2

[M+Na-2H]-

588.46094

238.5

[M]+

567.48572

249.6

[M]-

567.48682

249.6

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

N-(15-methyl-3-(13-methyl-tetradecanoyloxy)-hexadecanoyl)-glycine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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