CID 7591

Ethyl phenylcarbamate

Structural Information

Molecular Formula
C9H11NO2
SMILES
CCOC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C9H11NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
InChIKey
LBKPGNUOUPTQKA-UHFFFAOYSA-N
Compound name
ethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

27
References

4420
Patents

165.07898 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 134.0
[M+Na]+ 188.068198 140.6
[M-H]- 164.071704 137.6
[M+NH4]+ 183.112803 154.2
[M+K]+ 204.042138 139.6
[M+H-H2O]+ 148.076240 127.9
[M+HCOO]- 210.077181 159.3
[M+CH3COO]- 224.092831 178.8
[M+Na-2H]- 186.053646 141.2
[M]+ 165.07843142 134.5
[M]- 165.07952858 134.5
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