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]+ 239.05818 156.2
[M+Na]+ 261.04012 166.1
[M-H]- 237.04362 159.6
[M+NH4]+ 256.08472 172.7
[M+K]+ 277.01406 162.2
[M+H-H2O]+ 221.04816 144.7
[M+HCOO]- 283.04910 171.5
[M+CH3COO]- 297.06475 202.6
[M+Na-2H]- 259.02557 160.9
[M]+ 238.05035 153.8
[M]- 238.05145 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.