CID 302708

2-cyano-2-propyl n-(3-chlorophenyl)carbamate

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CC(C)(C#N)OC(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C11H11ClN2O2/c1-11(2,7-13)16-10(15)14-9-5-3-4-8(12)6-9/h3-6H,1-2H3,(H,14,15)
InChIKey
DDZSCNYJDLYYEG-UHFFFAOYSA-N
Compound name
2-cyanopropan-2-yl N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

238.0509 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.058176 156.2
[M+Na]+ 261.040118 166.1
[M-H]- 237.043624 159.6
[M+NH4]+ 256.084723 172.7
[M+K]+ 277.014058 162.2
[M+H-H2O]+ 221.048160 144.7
[M+HCOO]- 283.049101 171.5
[M+CH3COO]- 297.064751 202.6
[M+Na-2H]- 259.025566 160.9
[M]+ 238.05035142 153.8
[M]- 238.05144858 153.8
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

No patent data available for this compound.