CID 106855

67828-43-7

Structural Information

Molecular Formula
C9H10O5
SMILES
COC(=O)C(C1=C(C=C(C=C1)O)O)O
InChI
InChI=1S/C9H10O5/c1-14-9(13)8(12)6-3-2-5(10)4-7(6)11/h2-4,8,10-12H,1H3
InChIKey
OOJPWYDQMAVSQH-UHFFFAOYSA-N
Compound name
methyl 2-(2,4-dihydroxyphenyl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.05283 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.060106 139.0
[M+Na]+ 221.042048 146.5
[M-H]- 197.045554 139.2
[M+NH4]+ 216.086653 156.3
[M+K]+ 237.015988 145.1
[M+H-H2O]+ 181.050090 133.8
[M+HCOO]- 243.051031 158.3
[M+CH3COO]- 257.066681 176.7
[M+Na-2H]- 219.027496 141.9
[M]+ 198.05228142 139.2
[M]- 198.05337858 139.2
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.