CID 3023568

Cdcvckdfkjkqjn-uhfffaoysa-n

Structural Information

Molecular Formula
C27H49NO3
SMILES
CCCCCCCCC=CCCCCCCCCCCCCN1CC(CC1=O)C(=O)O
InChI
InChI=1S/C27H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-24-25(27(30)31)23-26(28)29/h9-10,25H,2-8,11-24H2,1H3,(H,30,31)
InChIKey
CDCVCKDFKJKQJN-UHFFFAOYSA-N
Compound name
1-docos-13-enyl-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.37125 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.378526 219.6
[M+Na]+ 458.360468 218.9
[M-H]- 434.363974 216.8
[M+NH4]+ 453.405073 228.9
[M+K]+ 474.334408 212.5
[M+H-H2O]+ 418.368510 210.6
[M+HCOO]- 480.369451 233.2
[M+CH3COO]- 494.385101 231.7
[M+Na-2H]- 456.345916 211.2
[M]+ 435.37070142 224.7
[M]- 435.37179858 224.7
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.