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

946
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 192.1
[M+Na]+ 363.25057 192.7
[M-H]- 339.25407 187.1
[M+NH4]+ 358.29517 203.9
[M+K]+ 379.22451 188.7
[M+H-H2O]+ 323.25861 185.3
[M+HCOO]- 385.25955 206.8
[M+CH3COO]- 399.27520 211.0
[M+Na-2H]- 361.23602 187.0
[M]+ 340.26080 196.4
[M]- 340.26190 196.4
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