CID 21256582

204991-14-0

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)NC12CC1CNC2

InChI

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

InChIKey

IJHTZGBRXSYOMG-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-azabicyclo[3.1.0]hexan-1-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 198.13683 Da
Monoisotopic Mass: 0.5
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	147.9
[M+Na]+	221.12605	156.4
[M+NH4]+	216.17065	156.8
[M+K]+	237.09999	154.0
[M-H]-	197.12955	153.9
[M+Na-2H]-	219.11150	153.6
[M]+	198.13628	151.7
[M]-	198.13738	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe