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

literature stripe

Patent stripe

patents stripe