CID 18666

O-cyclopentylphenyl methylcarbamate

Structural Information

Molecular Formula
C13H17NO2
SMILES
CNC(=O)OC1=CC=CC=C1C2CCCC2
InChI
InChI=1S/C13H17NO2/c1-14-13(15)16-12-9-5-4-8-11(12)10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,14,15)
InChIKey
LQQCVZUWEMLEGT-UHFFFAOYSA-N
Compound name
(2-cyclopentylphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15
Patents

219.12593 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 150.1
[M+Na]+ 242.11515 155.1
[M-H]- 218.11865 156.4
[M+NH4]+ 237.15975 169.7
[M+K]+ 258.08909 152.9
[M+H-H2O]+ 202.12319 143.2
[M+HCOO]- 264.12413 173.4
[M+CH3COO]- 278.13978 188.3
[M+Na-2H]- 240.10060 152.7
[M]+ 219.12538 147.8
[M]- 219.12648 147.8
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

patents stripe