CID 54216

Ethyl 2-(5-phenylpentyl)oxirane-2-carboxylate

Structural Information

Molecular Formula
C16H22O3
SMILES
CCOC(=O)C1(CO1)CCCCCC2=CC=CC=C2
InChI
InChI=1S/C16H22O3/c1-2-18-15(17)16(13-19-16)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3
InChIKey
NMLJNUQEDFUFOS-UHFFFAOYSA-N
Compound name
ethyl 2-(5-phenylpentyl)oxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

262.1569 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16418 164.0
[M+Na]+ 285.14612 177.2
[M+NH4]+ 280.19072 173.4
[M+K]+ 301.12006 170.0
[M-H]- 261.14962 174.9
[M+Na-2H]- 283.13157 173.8
[M]+ 262.15635 170.3
[M]- 262.15745 170.3
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