CID 52922068

Oleoyl proline

Structural Information

Molecular Formula
C23H41NO3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)N1CCC[C@H]1C(=O)O
InChI
InChI=1S/C23H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)24-20-17-18-21(24)23(26)27/h9-10,21H,2-8,11-20H2,1H3,(H,26,27)/b10-9-/t21-/m0/s1
InChIKey
WQCMZYCKACKLDL-YUQDSPFASA-N
Compound name
(2S)-1-[(Z)-octadec-9-enoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

379.30865 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.31593 204.0
[M+Na]+ 402.29787 204.0
[M-H]- 378.30137 201.8
[M+NH4]+ 397.34247 215.4
[M+K]+ 418.27181 199.0
[M+H-H2O]+ 362.30591 195.6
[M+HCOO]- 424.30685 218.0
[M+CH3COO]- 438.32250 218.9
[M+Na-2H]- 400.28332 197.0
[M]+ 379.30810 206.6
[M]- 379.30920 206.6
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