CID 6433346

N-linoleoylglycine

Structural Information

Molecular Formula
C20H35NO3
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCC(=O)O
InChI
InChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h6-7,9-10H,2-5,8,11-18H2,1H3,(H,21,22)(H,23,24)/b7-6-,10-9-
InChIKey
YCRHZEHWEYAHCO-HZJYTTRNSA-N
Compound name
2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

130
Patents

337.2617 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.26898 191.0
[M+Na]+ 360.25092 191.9
[M-H]- 336.25442 187.4
[M+NH4]+ 355.29552 203.5
[M+K]+ 376.22486 187.1
[M+H-H2O]+ 320.25896 183.7
[M+HCOO]- 382.25990 209.2
[M+CH3COO]- 396.27555 213.7
[M+Na-2H]- 358.23637 188.0
[M]+ 337.26115 194.8
[M]- 337.26225 194.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe