CID 19702027

Ethyl 3-[(oxiran-2-yl)methoxy]benzoate

Structural Information

Molecular Formula
C12H14O4
SMILES
CCOC(=O)C1=CC(=CC=C1)OCC2CO2
InChI
InChI=1S/C12H14O4/c1-2-14-12(13)9-4-3-5-10(6-9)15-7-11-8-16-11/h3-6,11H,2,7-8H2,1H3
InChIKey
GJIYIHFVFHIIPI-UHFFFAOYSA-N
Compound name
ethyl 3-(oxiran-2-ylmethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

222.0892 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 147.5
[M+Na]+ 245.07842 156.6
[M-H]- 221.08192 155.9
[M+NH4]+ 240.12302 159.9
[M+K]+ 261.05236 155.9
[M+H-H2O]+ 205.08646 140.3
[M+HCOO]- 267.08740 170.6
[M+CH3COO]- 281.10305 190.5
[M+Na-2H]- 243.06387 153.7
[M]+ 222.08865 155.0
[M]- 222.08975 155.0
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

patents stripe