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
2
Annotation Hits

13
References

522
Patents

339.27734 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.28462 191.1
[M+Na]+ 362.26656 195.9
[M+NH4]+ 357.31116 194.4
[M+K]+ 378.24050 189.3
[M-H]- 338.27006 188.0
[M+Na-2H]- 360.25201 189.1
[M]+ 339.27679 190.2
[M]- 339.27789 190.2
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