CID 171118619

N-(3-hydroxy-9z-octadecenoyl) glycine

Structural Information

Molecular Formula
C20H37NO4
SMILES
CCCCCCCC/C=C\CCCCCC(CC(=O)NCC(=O)O)O
InChI
InChI=1S/C20H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)16-19(23)21-17-20(24)25/h9-10,18,22H,2-8,11-17H2,1H3,(H,21,23)(H,24,25)/b10-9-
InChIKey
JHCGMEFDYVBBCF-KTKRTIGZSA-N
Compound name
2-[[(Z)-3-hydroxyoctadec-9-enoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.27225 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.27953 195.7
[M+Na]+ 378.26147 195.4
[M-H]- 354.26497 190.6
[M+NH4]+ 373.30607 206.6
[M+K]+ 394.23541 191.5
[M+H-H2O]+ 338.26951 188.3
[M+HCOO]- 400.27045 211.4
[M+CH3COO]- 414.28610 215.5
[M+Na-2H]- 376.24692 190.9
[M]+ 355.27170 199.1
[M]- 355.27280 199.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.