CID 105721

Methyl 2,4-dihydroxyphenylglycolate

Structural Information

Molecular Formula
C9H8O5
SMILES
COC(=O)C(=O)C1=C(C=C(C=C1)O)O
InChI
InChI=1S/C9H8O5/c1-14-9(13)8(12)6-3-2-5(10)4-7(6)11/h2-4,10-11H,1H3
InChIKey
DTTXYTFSERGEPB-UHFFFAOYSA-N
Compound name
methyl 2-(2,4-dihydroxyphenyl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.03717 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04445 138.7
[M+Na]+ 219.02639 149.4
[M+NH4]+ 214.07099 144.5
[M+K]+ 235.00033 146.5
[M-H]- 195.02989 137.7
[M+Na-2H]- 217.01184 142.6
[M]+ 196.03662 139.5
[M]- 196.03772 139.5
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.