CID 65918003

1482580-51-7

Structural Information

Molecular Formula
C12H14O4
SMILES
CC1(C(O1)C(=O)OC)C2=CC=CC=C2OC
InChI
InChI=1S/C12H14O4/c1-12(10(16-12)11(13)15-3)8-6-4-5-7-9(8)14-2/h4-7,10H,1-3H3
InChIKey
VLYREJMJQZGCTP-UHFFFAOYSA-N
Compound name
methyl 3-(2-methoxyphenyl)-3-methyloxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0892 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 150.3
[M+Na]+ 245.07842 164.5
[M+NH4]+ 240.12302 159.8
[M+K]+ 261.05236 159.0
[M-H]- 221.08192 161.0
[M+Na-2H]- 243.06387 160.3
[M]+ 222.08865 156.7
[M]- 222.08975 156.7
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.