CID 5362718

Octadecenylsuccinic acid

Structural Information

Molecular Formula
C22H40O4
SMILES
CCCCCCCC/C=C/CCCCCCCCC(CC(=O)O)C(=O)O
InChI
InChI=1S/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)(H,25,26)/b10-9+
InChIKey
XACKAZKMZQZZDT-MDZDMXLPSA-N
Compound name
2-[(E)-octadec-9-enyl]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1444
Patents

368.29266 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.29994 198.6
[M+Na]+ 391.28188 203.0
[M+NH4]+ 386.32648 205.1
[M+K]+ 407.25582 197.2
[M-H]- 367.28538 193.9
[M+Na-2H]- 389.26733 195.1
[M]+ 368.29211 197.2
[M]- 368.29321 197.2
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

patents stripe