CID 58063

Benzyl n-(2-pyrrolidinylethyl)carbamate hydrochloride

Structural Information

Molecular Formula
C14H20N2O2
SMILES
C1CCN(C1)CCNC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H20N2O2/c17-14(15-8-11-16-9-4-5-10-16)18-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,15,17)
InChIKey
BEEBBBAXVLJJMK-UHFFFAOYSA-N
Compound name
benzyl N-(2-pyrrolidin-1-ylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 158.5
[M+Na]+ 271.14170 162.0
[M-H]- 247.14520 162.6
[M+NH4]+ 266.18630 175.2
[M+K]+ 287.11564 159.5
[M+H-H2O]+ 231.14974 149.9
[M+HCOO]- 293.15068 180.1
[M+CH3COO]- 307.16633 192.8
[M+Na-2H]- 269.12715 161.3
[M]+ 248.15193 156.6
[M]- 248.15303 156.6
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

patents stripe