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]+ 229.15468 163.0
[M+Na]+ 251.13662 166.6
[M-H]- 227.14012 163.8
[M+NH4]+ 246.18122 183.1
[M+K]+ 267.11056 169.6
[M+H-H2O]+ 211.14466 156.8
[M+HCOO]- 273.14560 178.6
[M+CH3COO]- 287.16125 196.5
[M+Na-2H]- 249.12207 171.4
[M]+ 228.14685 176.2
[M]- 228.14795 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.