CID 182046

2-chloroethyl n-cyclohexylcarbamate

Structural Information

Molecular Formula
C9H16ClNO2
SMILES
C1CCC(CC1)NC(=O)OCCCl
InChI
InChI=1S/C9H16ClNO2/c10-6-7-13-9(12)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)
InChIKey
IQOIQWDXROAQBS-UHFFFAOYSA-N
Compound name
2-chloroethyl N-cyclohexylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08696 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09424 145.5
[M+Na]+ 228.07618 149.8
[M-H]- 204.07968 147.8
[M+NH4]+ 223.12078 164.7
[M+K]+ 244.05012 147.4
[M+H-H2O]+ 188.08422 140.2
[M+HCOO]- 250.08516 161.9
[M+CH3COO]- 264.10081 183.7
[M+Na-2H]- 226.06163 149.2
[M]+ 205.08641 143.7
[M]- 205.08751 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.