CID 105484066

2173991-80-3

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)NCC1CC2(C1)CNC2

InChI

InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-6-9-4-12(5-9)7-13-8-12/h9,13H,4-8H2,1-3H3,(H,14,15)

InChIKey

DHTWBJNTKXLVRO-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-azaspiro[3.3]heptan-6-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 226.16812 Da
Monoisotopic Mass: 1.1
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	154.7
[M+Na]+	249.157338	156.1
[M-H]-	225.160844	156.7
[M+NH4]+	244.201943	159.4
[M+K]+	265.131278	160.5
[M+H-H2O]+	209.165380	139.9
[M+HCOO]-	271.166321	168.3
[M+CH3COO]-	285.181971	200.0
[M+Na-2H]-	247.142786	158.1
[M]+	226.16757142	168.3
[M]-	226.16866858	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe