CID 55302558

(3z)-4-hydroxy-2-oxohexenoate

Structural Information

Molecular Formula
C6H8O4
SMILES
CCC(=O)/C=C(/C(=O)O)\O
InChI
InChI=1S/C6H8O4/c1-2-4(7)3-5(8)6(9)10/h3,8H,2H2,1H3,(H,9,10)/b5-3-
InChIKey
VHEINOKIVZLNRP-HYXAFXHYSA-N
Compound name
(Z)-2-hydroxy-4-oxohex-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

144.04225 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.049526 128.1
[M+Na]+ 167.031468 134.7
[M-H]- 143.034974 125.8
[M+NH4]+ 162.076073 147.9
[M+K]+ 183.005408 134.1
[M+H-H2O]+ 127.039510 124.0
[M+HCOO]- 189.040451 147.5
[M+CH3COO]- 203.056101 169.1
[M+Na-2H]- 165.016916 130.4
[M]+ 144.04170142 127.2
[M]- 144.04279858 127.2
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