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

56
Patents

182.0579 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 136.3
[M+Na]+ 205.04712 143.4
[M-H]- 181.05062 137.6
[M+NH4]+ 200.09172 154.8
[M+K]+ 221.02106 142.3
[M+H-H2O]+ 165.05516 131.0
[M+HCOO]- 227.05610 157.0
[M+CH3COO]- 241.07175 175.7
[M+Na-2H]- 203.03257 140.3
[M]+ 182.05735 136.5
[M]- 182.05845 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