CID 11515538

N-linolenoylglycine

Structural Information

Molecular Formula
C20H33NO3
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCC(=O)O
InChI
InChI=1S/C20H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h3-4,6-7,9-10H,2,5,8,11-18H2,1H3,(H,21,22)(H,23,24)/b4-3-,7-6-,10-9-
InChIKey
QYPLHBZIMGVCOV-PDBXOOCHSA-N
Compound name
2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

335.24603 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.253306 189.6
[M+Na]+ 358.235248 190.9
[M-H]- 334.238754 186.1
[M+NH4]+ 353.279853 202.2
[M+K]+ 374.209188 185.5
[M+H-H2O]+ 318.243290 182.4
[M+HCOO]- 380.244231 208.0
[M+CH3COO]- 394.259881 212.2
[M+Na-2H]- 356.220696 186.6
[M]+ 335.24548142 192.6
[M]- 335.24657858 192.6
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