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
2
Annotation Hits

1
References

7
Patents

214.08412 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.091396 148.6
[M+Na]+ 237.073338 153.3
[M-H]- 213.076844 144.1
[M+NH4]+ 232.117943 164.7
[M+K]+ 253.047278 150.8
[M+H-H2O]+ 197.081380 143.7
[M+HCOO]- 259.082321 165.6
[M+CH3COO]- 273.097971 179.4
[M+Na-2H]- 235.058786 148.3
[M]+ 214.08357142 148.0
[M]- 214.08466858 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

patents stripe