CID 3017256

Hexadec-2-enylsuccinic acid

Structural Information

Molecular Formula
C20H36O4
SMILES
CCCCCCCCCCCCCC=CCC(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/h14-15,18H,2-13,16-17H2,1H3,(H,21,22)(H,23,24)
InChIKey
OEFYCSSKUNVOSE-UHFFFAOYSA-N
Compound name
2-hexadec-2-enylbutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

340.26135 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.268626 192.1
[M+Na]+ 363.250568 192.7
[M-H]- 339.254074 187.1
[M+NH4]+ 358.295173 203.9
[M+K]+ 379.224508 188.7
[M+H-H2O]+ 323.258610 185.3
[M+HCOO]- 385.259551 206.8
[M+CH3COO]- 399.275201 211.0
[M+Na-2H]- 361.236016 187.0
[M]+ 340.26080142 196.4
[M]- 340.26189858 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