CID 45092147

175868-01-6

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)NC12CC(C1)CNC2

InChI

InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-11-4-8(5-11)6-12-7-11/h8,12H,4-7H2,1-3H3,(H,13,14)

InChIKey

DDCLWQQNPIZBNG-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-azabicyclo[3.1.1]heptan-1-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 212.15248 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	213.15976	165.0
[M+Na]+	235.14170	167.4
[M-H]-	211.14520	160.6
[M+NH4]+	230.18630	180.8
[M+K]+	251.11564	169.1
[M+H-H2O]+	195.14974	155.8
[M+HCOO]-	257.15068	173.9
[M+CH3COO]-	271.16633	192.5
[M+Na-2H]-	233.12715	174.3
[M]+	212.15193	174.0
[M]-	212.15303	174.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe