CID 139022744

2344685-16-9

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)NC12CC(C1)NC2

InChI

InChI=1S/C10H18N2O2/c1-9(2,3)14-8(13)12-10-4-7(5-10)11-6-10/h7,11H,4-6H2,1-3H3,(H,12,13)

InChIKey

MJYDHLKLHRAJFL-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-azabicyclo[2.1.1]hexan-4-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 198.13683 Da
Monoisotopic Mass: 0.7
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]+	199.14411	158.2
[M+Na]+	221.12605	162.1
[M-H]-	197.12955	156.4
[M+NH4]+	216.17065	177.6
[M+K]+	237.09999	163.7
[M+H-H2O]+	181.13409	150.8
[M+HCOO]-	243.13503	172.1
[M+CH3COO]-	257.15068	187.8
[M+Na-2H]-	219.11150	164.7
[M]+	198.13628	169.3
[M]-	198.13738	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe