CID 6436908

N-oleoylglycine

Structural Information

Molecular Formula

C₂₀H₃₇NO₃

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCC(=O)O

InChI

InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h9-10H,2-8,11-18H2,1H3,(H,21,22)(H,23,24)/b10-9-

InChIKey

HPFXACZRFJDURI-KTKRTIGZSA-N

Compound name

2-[[(Z)-octadec-9-enoyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 546
Patents: 339.27734 Da
Monoisotopic Mass: 6.6
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]+	340.28462	192.4
[M+Na]+	362.26656	192.9
[M-H]-	338.27006	188.7
[M+NH4]+	357.31116	204.8
[M+K]+	378.24050	188.7
[M+H-H2O]+	322.27460	184.9
[M+HCOO]-	384.27554	210.4
[M+CH3COO]-	398.29119	215.1
[M+Na-2H]-	360.25201	189.3
[M]+	339.27679	196.9
[M]-	339.27789	196.9

Literature stripe

literature stripe

Patent stripe

patents stripe