CID 9548026

2-hydroxydec-2,4-diene-1,10-dioate

Structural Information

Molecular Formula
C10H14O5
SMILES
C(CCC(=O)O)C/C=C/C=C(\C(=O)O)/O
InChI
InChI=1S/C10H14O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h2,4,6,11H,1,3,5,7H2,(H,12,13)(H,14,15)/b4-2+,8-6+
InChIKey
MPFLOVTXQFENDL-REBBJWOHSA-N
Compound name
(2E,4E)-2-hydroxydeca-2,4-dienedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.08412 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09140 148.6
[M+Na]+ 237.07334 153.3
[M-H]- 213.07684 144.1
[M+NH4]+ 232.11794 164.7
[M+K]+ 253.04728 150.8
[M+H-H2O]+ 197.08138 143.7
[M+HCOO]- 259.08232 165.6
[M+CH3COO]- 273.09797 179.4
[M+Na-2H]- 235.05879 148.3
[M]+ 214.08357 148.0
[M]- 214.08467 148.0
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.