CID 12321596

Ethyl 2-methyl-3-phenyloxirane-2-carboxylate

Structural Information

Molecular Formula
C12H14O3
SMILES
CCOC(=O)C1(C(O1)C2=CC=CC=C2)C
InChI
InChI=1S/C12H14O3/c1-3-14-11(13)12(2)10(15-12)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
InChIKey
PTJLNEHAZVPEFQ-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-3-phenyloxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

904
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

literature stripe

Patent stripe

patents stripe