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

6
Patents

262.1569 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.164176 162.2
[M+Na]+ 285.146118 169.5
[M-H]- 261.149624 169.8
[M+NH4]+ 280.190723 174.7
[M+K]+ 301.120058 168.6
[M+H-H2O]+ 245.154160 155.3
[M+HCOO]- 307.155101 183.5
[M+CH3COO]- 321.170751 198.4
[M+Na-2H]- 283.131566 168.0
[M]+ 262.15635142 169.6
[M]- 262.15744858 169.6
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