CID 86221035

Methyl 2-(2-acetyl-3-hydroxyphenyl)acetate

Structural Information

Molecular Formula
C11H12O4
SMILES
CC(=O)C1=C(C=CC=C1O)CC(=O)OC
InChI
InChI=1S/C11H12O4/c1-7(12)11-8(6-10(14)15-2)4-3-5-9(11)13/h3-5,13H,6H2,1-2H3
InChIKey
GXKSGBSCGMMFPX-UHFFFAOYSA-N
Compound name
methyl 2-(2-acetyl-3-hydroxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07356 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 142.4
[M+Na]+ 231.06278 150.4
[M-H]- 207.06628 145.2
[M+NH4]+ 226.10738 160.9
[M+K]+ 247.03672 149.1
[M+H-H2O]+ 191.07082 136.9
[M+HCOO]- 253.07176 164.2
[M+CH3COO]- 267.08741 184.6
[M+Na-2H]- 229.04823 145.4
[M]+ 208.07301 145.0
[M]- 208.07411 145.0
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.