CID 2756045

Tert-butyl n-[4-(aminomethyl)cyclohexyl]carbamate

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)CN

InChI

InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-10-6-4-9(8-13)5-7-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)

InChIKey

NVQFOBONHIXDOC-UHFFFAOYSA-N

Compound name

tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 274
Patents: 228.18378 Da
Monoisotopic Mass: 1.5
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]+	229.191056	156.0
[M+Na]+	251.172998	158.9
[M-H]-	227.176504	158.1
[M+NH4]+	246.217603	173.4
[M+K]+	267.146938	158.0
[M+H-H2O]+	211.181040	150.0
[M+HCOO]-	273.181981	174.8
[M+CH3COO]-	287.197631	194.3
[M+Na-2H]-	249.158446	158.1
[M]+	228.18323142	151.4
[M]-	228.18432858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe