CID 44190514

N-oleoyl-l-serine

Structural Information

Molecular Formula
C21H39NO4
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)C(=O)O
InChI
InChI=1S/C21H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)22-19(18-23)21(25)26/h9-10,19,23H,2-8,11-18H2,1H3,(H,22,24)(H,25,26)/b10-9-/t19-/m0/s1
InChIKey
MBDKGXAMSZIDKF-VJIACCKLSA-N
Compound name
(2S)-3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

90
Patents

369.2879 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.29518 200.0
[M+Na]+ 392.27712 199.4
[M-H]- 368.28062 194.8
[M+NH4]+ 387.32172 204.9
[M+K]+ 408.25106 195.2
[M+H-H2O]+ 352.28516 192.5
[M+HCOO]- 414.28610 210.8
[M+CH3COO]- 428.30175 218.4
[M+Na-2H]- 390.26257 194.8
[M]+ 369.28735 203.8
[M]- 369.28845 203.8
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