CID 6476393

Schembl6988304

Structural Information

Molecular Formula
C13H12O6
SMILES
COC1=CC=CC=C1C(=O)CC(=O)/C=C(/C(=O)O)\O
InChI
InChI=1S/C13H12O6/c1-19-12-5-3-2-4-9(12)10(15)6-8(14)7-11(16)13(17)18/h2-5,7,16H,6H2,1H3,(H,17,18)/b11-7-
InChIKey
SCYRZRGZCZDONL-XFFZJAGNSA-N
Compound name
(Z)-2-hydroxy-6-(2-methoxyphenyl)-4,6-dioxohex-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

264.0634 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07068 155.4
[M+Na]+ 287.05262 160.9
[M-H]- 263.05612 156.1
[M+NH4]+ 282.09722 169.9
[M+K]+ 303.02656 159.3
[M+H-H2O]+ 247.06066 149.3
[M+HCOO]- 309.06160 173.7
[M+CH3COO]- 323.07725 191.6
[M+Na-2H]- 285.03807 155.2
[M]+ 264.06285 156.6
[M]- 264.06395 156.6
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.