CID 16227900

864943-63-5

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)NC1(CCCCC1)CN

InChI

InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-12(9-13)7-5-4-6-8-12/h4-9,13H2,1-3H3,(H,14,15)

InChIKey

FSRHJVGZHRVXDX-UHFFFAOYSA-N

Compound name

tert-butyl N-[1-(aminomethyl)cyclohexyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 228.18378 Da
Monoisotopic Mass: 1.6
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]+	229.19106	155.2
[M+Na]+	251.17300	161.5
[M+NH4]+	246.21760	163.3
[M+K]+	267.14694	155.8
[M-H]-	227.17650	156.0
[M+Na-2H]-	249.15845	159.6
[M]+	228.18323	156.1
[M]-	228.18433	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe