CID 246597

Cyclohexyl n-phenylcarbamate

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1CCC(CC1)OC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c15-13(14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,14,15)
InChIKey
CEUNIYVZFAQQSI-UHFFFAOYSA-N
Compound name
cyclohexyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

122
Patents

219.12593 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 149.4
[M+Na]+ 242.11515 152.5
[M-H]- 218.11865 154.8
[M+NH4]+ 237.15975 166.7
[M+K]+ 258.08909 150.4
[M+H-H2O]+ 202.12319 141.8
[M+HCOO]- 264.12413 170.5
[M+CH3COO]- 278.13978 187.7
[M+Na-2H]- 240.10060 154.2
[M]+ 219.12538 144.5
[M]- 219.12648 144.5
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