CID 48374

66922-70-1

Structural Information

Molecular Formula
C9H10O5
SMILES
COC1=C(C=CC(=C1)C(=O)C(O)O)O
InChI
InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,9-10,12-13H,1H3
InChIKey
SGFVYAYEGJHREZ-UHFFFAOYSA-N
Compound name
2,2-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.05283 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.060106 138.8
[M+Na]+ 221.042048 146.1
[M-H]- 197.045554 138.9
[M+NH4]+ 216.086653 156.0
[M+K]+ 237.015988 144.8
[M+H-H2O]+ 181.050090 133.6
[M+HCOO]- 243.051031 158.0
[M+CH3COO]- 257.066681 177.4
[M+Na-2H]- 219.027496 141.6
[M]+ 198.05228142 139.1
[M]- 198.05337858 139.1
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.