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

1443
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 200.9
[M+Na]+ 391.28188 200.7
[M-H]- 367.28538 195.5
[M+NH4]+ 386.32648 199.6
[M+K]+ 407.25582 196.2
[M+H-H2O]+ 351.28992 193.8
[M+HCOO]- 413.29086 206.2
[M+CH3COO]- 427.30651 216.9
[M+Na-2H]- 389.26733 194.8
[M]+ 368.29211 206.0
[M]- 368.29321 206.0
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