CID 165992220

Tert-butyl n-[1-(aminomethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamate hydrochloride

Structural Information

Molecular Formula
C11H20N2O3
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(OC2)CN
InChI
InChI=1S/C11H20N2O3/c1-9(2,3)16-8(14)13-10-4-11(5-10,6-12)15-7-10/h4-7,12H2,1-3H3,(H,13,14)
InChIKey
CUZYRQGDTXTYEX-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(aminomethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.1474 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.154676 163.0
[M+Na]+ 251.136618 166.6
[M-H]- 227.140124 163.8
[M+NH4]+ 246.181223 183.1
[M+K]+ 267.110558 169.6
[M+H-H2O]+ 211.144660 156.8
[M+HCOO]- 273.145601 178.6
[M+CH3COO]- 287.161251 196.5
[M+Na-2H]- 249.122066 171.4
[M]+ 228.14685142 176.2
[M]- 228.14794858 176.2
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.