CID 122156999

Benzyl n-{2-azabicyclo[2.1.1]hexan-5-yl}carbamate hydrochloride

Structural Information

Molecular Formula
C13H16N2O2
SMILES
C1C2CNC1C2NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C13H16N2O2/c16-13(15-12-10-6-11(12)14-7-10)17-8-9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2,(H,15,16)
InChIKey
FPINETZHLHKVQZ-UHFFFAOYSA-N
Compound name
benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 153.9
[M+Na]+ 255.11041 157.5
[M-H]- 231.11391 155.3
[M+NH4]+ 250.15501 170.0
[M+K]+ 271.08435 157.9
[M+H-H2O]+ 215.11845 144.0
[M+HCOO]- 277.11939 170.5
[M+CH3COO]- 291.13504 164.3
[M+Na-2H]- 253.09586 159.2
[M]+ 232.12064 164.7
[M]- 232.12174 164.7
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.