CID 71587032

Fema no. 4653

Structural Information

Molecular Formula
C14H18O3
SMILES
CC[C@@]1([C@](O1)(C)C2=CC=CC=C2)C(=O)OCC
InChI
InChI=1S/C14H18O3/c1-4-14(12(15)16-5-2)13(3,17-14)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3/t13-,14-/m0/s1
InChIKey
MNSJAWVIQMGRPA-KBPBESRZSA-N
Compound name
ethyl (2R,3S)-2-ethyl-3-methyl-3-phenyloxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

234.1256 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 155.6
[M+Na]+ 257.11482 169.7
[M+NH4]+ 252.15942 166.7
[M+K]+ 273.08876 161.6
[M-H]- 233.11832 166.8
[M+Na-2H]- 255.10027 167.2
[M]+ 234.12505 162.4
[M]- 234.12615 162.4
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

patents stripe