CID 247630

Ethyl n-(2-phenylethyl)carbamate

Structural Information

Molecular Formula
C11H15NO2
SMILES
CCOC(=O)NCCC1=CC=CC=C1
InChI
InChI=1S/C11H15NO2/c1-2-14-11(13)12-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)
InChIKey
WXDDBYFBIIAYSM-UHFFFAOYSA-N
Compound name
ethyl N-(2-phenylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

182
Patents

193.11028 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.3
[M+Na]+ 216.09950 149.1
[M-H]- 192.10300 146.6
[M+NH4]+ 211.14410 162.4
[M+K]+ 232.07344 147.6
[M+H-H2O]+ 176.10754 136.8
[M+HCOO]- 238.10848 168.0
[M+CH3COO]- 252.12413 184.8
[M+Na-2H]- 214.08495 149.5
[M]+ 193.10973 144.6
[M]- 193.11083 144.6
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