CID 7591

101-99-5

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
4
Annotation Hits

27
References

3224
Patents

165.07898 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 134.7
[M+Na]+ 188.06820 146.2
[M+NH4]+ 183.11280 142.9
[M+K]+ 204.04214 140.2
[M-H]- 164.07170 136.9
[M+Na-2H]- 186.05365 141.8
[M]+ 165.07843 136.8
[M]- 165.07953 136.8
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