CID 253507

Methyl 2-(2-methoxy-2-oxoethyl)benzoate

Structural Information

Molecular Formula
C11H12O4
SMILES
COC(=O)CC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C11H12O4/c1-14-10(12)7-8-5-3-4-6-9(8)11(13)15-2/h3-6H,7H2,1-2H3
InChIKey
ROMWRJNZSHFGEK-UHFFFAOYSA-N
Compound name
methyl 2-(2-methoxy-2-oxoethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

208.07356 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 142.9
[M+Na]+ 231.06278 150.4
[M-H]- 207.06628 146.8
[M+NH4]+ 226.10738 161.8
[M+K]+ 247.03672 150.0
[M+H-H2O]+ 191.07082 136.8
[M+HCOO]- 253.07176 166.2
[M+CH3COO]- 267.08741 185.2
[M+Na-2H]- 229.04823 147.0
[M]+ 208.07301 146.9
[M]- 208.07411 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe