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 148.2
[M+Na]+ 237.07334 152.6
[M-H]- 213.07684 143.9
[M+NH4]+ 232.11794 164.2
[M+K]+ 253.04728 151.1
[M+H-H2O]+ 197.08138 143.6
[M+HCOO]- 259.08232 163.2
[M+CH3COO]- 273.09797 181.4
[M+Na-2H]- 235.05879 145.5
[M]+ 214.08357 146.3
[M]- 214.08467 146.3
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.