CID 16759340

N-oleoyl gaba

Structural Information

Molecular Formula
C22H41NO3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCCC(=O)O
InChI
InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)23-20-17-19-22(25)26/h9-10H,2-8,11-20H2,1H3,(H,23,24)(H,25,26)/b10-9-
InChIKey
NFYDTZXYPVTQHJ-KTKRTIGZSA-N
Compound name
4-[[(Z)-octadec-9-enoyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

367.30865 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.315926 201.1
[M+Na]+ 390.297868 200.7
[M-H]- 366.301374 197.0
[M+NH4]+ 385.342473 212.4
[M+K]+ 406.271808 196.1
[M+H-H2O]+ 350.305910 193.3
[M+HCOO]- 412.306851 218.4
[M+CH3COO]- 426.322501 221.0
[M+Na-2H]- 388.283316 197.0
[M]+ 367.30810142 206.4
[M]- 367.30919858 206.4
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