CID 9776837

(2z,4e)-2-hydroxy-6-oxohepta-2,4-dienoic acid

Structural Information

Molecular Formula
C7H8O4
SMILES
CC(=O)/C=C\C=C(/C(=O)O)\O
InChI
InChI=1S/C7H8O4/c1-5(8)3-2-4-6(9)7(10)11/h2-4,9H,1H3,(H,10,11)/b3-2-,6-4+
InChIKey
HVZGWILTESYJSP-MGLVMYNNSA-N
Compound name
(2E,4Z)-2-hydroxy-6-oxohepta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

26
Patents

156.04225 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.049526 131.4
[M+Na]+ 179.031468 137.9
[M-H]- 155.034974 129.0
[M+NH4]+ 174.076073 150.7
[M+K]+ 195.005408 136.4
[M+H-H2O]+ 139.039510 127.2
[M+HCOO]- 201.040451 150.6
[M+CH3COO]- 215.056101 170.6
[M+Na-2H]- 177.016916 133.2
[M]+ 156.04170142 130.1
[M]- 156.04279858 130.1
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