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]+ 145.04953 128.1
[M+Na]+ 167.03147 134.7
[M-H]- 143.03497 125.8
[M+NH4]+ 162.07607 147.9
[M+K]+ 183.00541 134.1
[M+H-H2O]+ 127.03951 124.0
[M+HCOO]- 189.04045 147.5
[M+CH3COO]- 203.05610 169.1
[M+Na-2H]- 165.01692 130.4
[M]+ 144.04170 127.2
[M]- 144.04280 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