CID 130156673

Tert-butyl n-{3-azabicyclo[4.2.0]octan-7-yl}carbamate

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)NC1CC2C1CCNC2

InChI

InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-6-8-7-13-5-4-9(8)10/h8-10,13H,4-7H2,1-3H3,(H,14,15)

InChIKey

DCACGZPYEMMOEM-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-azabicyclo[4.2.0]octan-7-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.16812 Da
Monoisotopic Mass: 1.3
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]+	227.175396	155.7
[M+Na]+	249.157338	158.0
[M-H]-	225.160844	156.1
[M+NH4]+	244.201943	166.1
[M+K]+	265.131278	159.5
[M+H-H2O]+	209.165380	144.1
[M+HCOO]-	271.166321	169.1
[M+CH3COO]-	285.181971	192.8
[M+Na-2H]-	247.142786	159.0
[M]+	226.16757142	159.9
[M]-	226.16866858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.