CID 302708

2-cyanopropan-2-yl 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 151.4
[M+Na]+ 261.04012 162.4
[M+NH4]+ 256.08472 155.5
[M+K]+ 277.01406 153.9
[M-H]- 237.04362 145.5
[M+Na-2H]- 259.02557 154.8
[M]+ 238.05035 150.7
[M]- 238.05145 150.7
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.