CID 510628

Schembl5898776

Structural Information

Molecular Formula
C10H8O5
SMILES
C1=CC(=CC(=C1)O)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C10H8O5/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4,11H,5H2,(H,14,15)
InChIKey
PVTGWSQYMNAUSD-UHFFFAOYSA-N
Compound name
4-(3-hydroxyphenyl)-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

208.03717 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04445 140.4
[M+Na]+ 231.02639 147.2
[M-H]- 207.02989 141.6
[M+NH4]+ 226.07099 157.4
[M+K]+ 247.00033 145.8
[M+H-H2O]+ 191.03443 134.9
[M+HCOO]- 253.03537 160.4
[M+CH3COO]- 267.05102 180.8
[M+Na-2H]- 229.01184 142.9
[M]+ 208.03662 140.6
[M]- 208.03772 140.6
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