CID 135476772

2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioate

Structural Information

Molecular Formula
C7H6O6
SMILES
C(=C/C(=C(\C(=O)O)/O)/C(=O)O)\C=O
InChI
InChI=1S/C7H6O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h1-3,9H,(H,10,11)(H,12,13)/b2-1+,5-4-
InChIKey
QTJJMXJJLLAWNP-OMUGJNSGSA-N
Compound name
(Z)-2-hydroxy-3-[(E)-3-oxoprop-1-enyl]but-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.01643 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.023706 135.3
[M+Na]+ 209.005648 141.3
[M-H]- 185.009154 131.5
[M+NH4]+ 204.050253 152.3
[M+K]+ 224.979588 140.0
[M+H-H2O]+ 169.013690 130.9
[M+HCOO]- 231.014631 152.7
[M+CH3COO]- 245.030281 172.7
[M+Na-2H]- 206.991096 135.5
[M]+ 186.01588142 133.7
[M]- 186.01697858 133.7
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.