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 147.0
[M+Na]+ 245.07842 157.6
[M-H]- 221.08192 156.1
[M+NH4]+ 240.12302 161.6
[M+K]+ 261.05236 157.9
[M+H-H2O]+ 205.08646 141.2
[M+HCOO]- 267.08740 169.7
[M+CH3COO]- 281.10305 191.2
[M+Na-2H]- 243.06387 153.7
[M]+ 222.08865 155.4
[M]- 222.08975 155.4
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.