CID 118221

Isooctadecenylsuccinic acid

Structural Information

Molecular Formula
C22H40O4
SMILES
CC(=C)CCCCCCCCCCCCCCCC(CC(=O)O)C(=O)O
InChI
InChI=1S/C22H40O4/c1-19(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(22(25)26)18-21(23)24/h20H,1,3-18H2,2H3,(H,23,24)(H,25,26)
InChIKey
XZFVXANAQPHQBR-UHFFFAOYSA-N
Compound name
2-(16-methylheptadec-16-enyl)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

368.29266 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.29994 198.2
[M+Na]+ 391.28188 202.2
[M+NH4]+ 386.32648 206.5
[M+K]+ 407.25582 205.0
[M-H]- 367.28538 193.3
[M+Na-2H]- 389.26733 194.4
[M]+ 368.29211 196.7
[M]- 368.29321 196.7
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

patents stripe