CID 54736824

2-hydroxy-5-isobutylhexa-2,4-dienoate

Structural Information

Molecular Formula
C10H14O5
SMILES
CC(C)C/C(=C\C=C(\C(=O)O)/O)/C(=O)O
InChI
InChI=1S/C10H14O5/c1-6(2)5-7(9(12)13)3-4-8(11)10(14)15/h3-4,6,11H,5H2,1-2H3,(H,12,13)(H,14,15)/b7-3+,8-4-
InChIKey
SKQCJYIOECWCBR-JHYGWMECSA-N
Compound name
(2Z,4E)-2-hydroxy-5-(2-methylpropyl)hexa-2,4-dienedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.08412 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09140 149.4
[M+Na]+ 237.07334 154.6
[M+NH4]+ 232.11794 152.3
[M+K]+ 253.04728 154.0
[M-H]- 213.07684 143.4
[M+Na-2H]- 235.05879 146.9
[M]+ 214.08357 147.5
[M]- 214.08467 147.5
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

No patent data available for this compound.