CID 111562

68758-69-0

Structural Information

Molecular Formula
C9H10O4
SMILES
COC(=O)C(C1=CC=C(C=C1)O)O
InChI
InChI=1S/C9H10O4/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8,10-11H,1H3
InChIKey
DHPYYPJMQRYNLX-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-2-(4-hydroxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

182.0579 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.065176 136.3
[M+Na]+ 205.047118 143.4
[M-H]- 181.050624 137.6
[M+NH4]+ 200.091723 154.8
[M+K]+ 221.021058 142.3
[M+H-H2O]+ 165.055160 131.0
[M+HCOO]- 227.056101 157.0
[M+CH3COO]- 241.071751 175.7
[M+Na-2H]- 203.032566 140.3
[M]+ 182.05735142 136.5
[M]- 182.05844858 136.5
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

patents stripe