CID 11805205

Cis-4-octenedioic acid

Structural Information

Molecular Formula
C8H12O4
SMILES
C(CC(=O)O)/C=C\CCC(=O)O
InChI
InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-2H,3-6H2,(H,9,10)(H,11,12)/b2-1-
InChIKey
LQVYKEXVMZXOAH-UPHRSURJSA-N
Compound name
(Z)-oct-4-enedioic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

441
Patents

172.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.080836 137.4
[M+Na]+ 195.062778 143.3
[M-H]- 171.066284 134.6
[M+NH4]+ 190.107383 156.1
[M+K]+ 211.036718 141.7
[M+H-H2O]+ 155.070820 132.8
[M+HCOO]- 217.071761 157.1
[M+CH3COO]- 231.087411 174.3
[M+Na-2H]- 193.048226 139.9
[M]+ 172.07301142 137.9
[M]- 172.07410858 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe