CID 58065

O-chlorobenzyl n-(2-pyrrolidinylethyl)carbamate hydrochloride

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
C1CCN(C1)CCNC(=O)OCC2=CC=CC=C2Cl
InChI
InChI=1S/C14H19ClN2O2/c15-13-6-2-1-5-12(13)11-19-14(18)16-7-10-17-8-3-4-9-17/h1-2,5-6H,3-4,7-11H2,(H,16,18)
InChIKey
XTMHJHOZJPZQCC-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1135 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.120776 166.0
[M+Na]+ 305.102718 171.2
[M-H]- 281.106224 170.3
[M+NH4]+ 300.147323 182.4
[M+K]+ 321.076658 166.8
[M+H-H2O]+ 265.110760 158.1
[M+HCOO]- 327.111701 182.9
[M+CH3COO]- 341.127351 197.7
[M+Na-2H]- 303.088166 167.4
[M]+ 282.11295142 166.5
[M]- 282.11404858 166.5
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.