CID 11206279

Ethyl n-(2-cyanophenyl)carbamate

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CCOC(=O)NC1=CC=CC=C1C#N
InChI
InChI=1S/C10H10N2O2/c1-2-14-10(13)12-9-6-4-3-5-8(9)7-11/h3-6H,2H2,1H3,(H,12,13)
InChIKey
RJPYCQIROWUTHA-UHFFFAOYSA-N
Compound name
ethyl N-(2-cyanophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

190.07423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.081506 142.7
[M+Na]+ 213.063448 151.8
[M-H]- 189.066954 146.0
[M+NH4]+ 208.108053 160.1
[M+K]+ 229.037388 149.6
[M+H-H2O]+ 173.071490 130.0
[M+HCOO]- 235.072431 163.8
[M+CH3COO]- 249.088081 196.2
[M+Na-2H]- 211.048896 148.0
[M]+ 190.07368142 138.6
[M]- 190.07477858 138.6
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