CID 62214833

Methyl 2-(2,3-dimethylphenyl)-2-hydroxyacetate

Structural Information

Molecular Formula
C11H14O3
SMILES
CC1=C(C(=CC=C1)C(C(=O)OC)O)C
InChI
InChI=1S/C11H14O3/c1-7-5-4-6-9(8(7)2)10(12)11(13)14-3/h4-6,10,12H,1-3H3
InChIKey
DGLBUTBXIAXYDK-UHFFFAOYSA-N
Compound name
methyl 2-(2,3-dimethylphenyl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 140.9
[M+Na]+ 217.08352 148.7
[M-H]- 193.08702 143.8
[M+NH4]+ 212.12812 160.2
[M+K]+ 233.05746 147.5
[M+H-H2O]+ 177.09156 135.6
[M+HCOO]- 239.09250 162.3
[M+CH3COO]- 253.10815 183.3
[M+Na-2H]- 215.06897 143.8
[M]+ 194.09375 142.8
[M]- 194.09485 142.8
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.