CID 58073

P-methylbenzyl n-(2-pyrrolidinylethyl)carbamate hydrochloride

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC1=CC=C(C=C1)COC(=O)NCCN2CCCC2
InChI
InChI=1S/C15H22N2O2/c1-13-4-6-14(7-5-13)12-19-15(18)16-8-11-17-9-2-3-10-17/h4-7H,2-3,8-12H2,1H3,(H,16,18)
InChIKey
APRYUDLHPDPKKY-UHFFFAOYSA-N
Compound name
(4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 163.1
[M+Na]+ 285.15734 167.1
[M-H]- 261.16084 167.5
[M+NH4]+ 280.20194 179.6
[M+K]+ 301.13128 164.4
[M+H-H2O]+ 245.16538 154.6
[M+HCOO]- 307.16632 184.4
[M+CH3COO]- 321.18197 197.0
[M+Na-2H]- 283.14279 164.6
[M]+ 262.16757 162.0
[M]- 262.16867 162.0
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.