CID 279510

Methyl 2-(oxiran-2-ylmethoxy)benzoate

Structural Information

Molecular Formula
C11H12O4
SMILES
COC(=O)C1=CC=CC=C1OCC2CO2
InChI
InChI=1S/C11H12O4/c1-13-11(12)9-4-2-3-5-10(9)15-7-8-6-14-8/h2-5,8H,6-7H2,1H3
InChIKey
CDNNMNLILHWPMH-UHFFFAOYSA-N
Compound name
methyl 2-(oxiran-2-ylmethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

208.07356 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 143.2
[M+Na]+ 231.06278 152.6
[M-H]- 207.06628 151.7
[M+NH4]+ 226.10738 156.1
[M+K]+ 247.03672 152.2
[M+H-H2O]+ 191.07082 136.1
[M+HCOO]- 253.07176 166.6
[M+CH3COO]- 267.08741 187.6
[M+Na-2H]- 229.04823 149.8
[M]+ 208.07301 150.3
[M]- 208.07411 150.3
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