CID 6501

77-83-8

Structural Information

Molecular Formula
C12H14O3
SMILES
CCOC(=O)C1C(O1)(C)C2=CC=CC=C2
InChI
InChI=1S/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
InChIKey
LQKRYVGRPXFFAV-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-3-phenyloxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

4
References

6744
Patents

206.0943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 144.2
[M+Na]+ 229.08352 154.0
[M-H]- 205.08702 153.0
[M+NH4]+ 224.12812 159.3
[M+K]+ 245.05746 154.0
[M+H-H2O]+ 189.09156 138.3
[M+HCOO]- 251.09250 166.8
[M+CH3COO]- 265.10815 188.0
[M+Na-2H]- 227.06897 151.5
[M]+ 206.09375 150.7
[M]- 206.09485 150.7
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.