CID 5780145

Hexadecenylsuccinic acid

Structural Information

Molecular Formula
C20H36O4
SMILES
CCCCCCCCCCCCCC/C=C/C(CC(=O)O)C(=O)O
InChI
InChI=1S/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22/h15-16,18H,2-14,17H2,1H3,(H,21,22)(H,23,24)/b16-15+
InChIKey
AAHZZGHPCKJNNZ-FOCLMDBBSA-N
Compound name
2-[(E)-hexadec-1-enyl]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

808
Patents

340.26135 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.26863 190.1
[M+Na]+ 363.25057 194.9
[M+NH4]+ 358.29517 198.1
[M+K]+ 379.22451 189.6
[M-H]- 339.25407 185.5
[M+Na-2H]- 361.23602 187.1
[M]+ 340.26080 188.8
[M]- 340.26190 188.8
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