CID 53481663

Pentadecanoylglycine

Structural Information

Molecular Formula

C₁₇H₃₃NO₃

SMILES

CCCCCCCCCCCCCCC(=O)NCC(=O)O

InChI

InChI=1S/C17H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18-15-17(20)21/h2-15H2,1H3,(H,18,19)(H,20,21)

InChIKey

GFPGAMQTXLSWHM-UHFFFAOYSA-N

Compound name

2-(pentadecanoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 299.24603 Da
Monoisotopic Mass: 5.9
XlogP (predicted)

Profile

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]+	300.253306	180.5
[M+Na]+	322.235248	181.9
[M-H]-	298.238754	177.3
[M+NH4]+	317.279853	194.6
[M+K]+	338.209188	179.0
[M+H-H2O]+	282.243290	173.5
[M+HCOO]-	344.244231	199.3
[M+CH3COO]-	358.259881	207.7
[M+Na-2H]-	320.220696	178.9
[M]+	299.24548142	184.7
[M]-	299.24657858	184.7

Literature stripe

literature stripe

Patent stripe

patents stripe