CID 257725

2-octadecenyl succinic acid

Structural Information

Molecular Formula
C22H40O4
SMILES
CCCCCCCCCCCCCCCCC=CC(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/h17-18,20H,2-16,19H2,1H3,(H,23,24)(H,25,26)
InChIKey
GYTGJCPXNGAJFT-UHFFFAOYSA-N
Compound name
2-octadec-1-enylbutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1225
Patents

368.29266 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.299936 200.9
[M+Na]+ 391.281878 200.7
[M-H]- 367.285384 195.5
[M+NH4]+ 386.326483 199.6
[M+K]+ 407.255818 196.2
[M+H-H2O]+ 351.289920 193.8
[M+HCOO]- 413.290861 206.2
[M+CH3COO]- 427.306511 216.9
[M+Na-2H]- 389.267326 194.8
[M]+ 368.29211142 206.0
[M]- 368.29320858 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