CID 151008

N-palmitoylglycine

Structural Information

Molecular Formula

C₁₈H₃₅NO₃

SMILES

CCCCCCCCCCCCCCCC(=O)NCC(=O)O

InChI

InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)

InChIKey

KVTFEOAKFFQCCX-UHFFFAOYSA-N

Compound name

2-(hexadecanoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 27
References: 1997
Patents: 313.2617 Da
Monoisotopic Mass: 6.5
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]+	314.26898	183.2
[M+Na]+	336.25092	188.4
[M+NH4]+	331.29552	187.1
[M+K]+	352.22486	182.3
[M-H]-	312.25442	180.4
[M+Na-2H]-	334.23637	181.9
[M]+	313.26115	182.5
[M]-	313.26225	182.5

Literature stripe

literature stripe

Patent stripe

patents stripe