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

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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]+ 283.12078 165.0
[M+Na]+ 305.10272 175.4
[M+NH4]+ 300.14732 172.5
[M+K]+ 321.07666 170.1
[M-H]- 281.10622 167.6
[M+Na-2H]- 303.08817 170.6
[M]+ 282.11295 167.2
[M]- 282.11405 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.