CID 20754832

1254058-26-8

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CC1(CCC(CC1)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-12(4)7-5-9(13)6-8-12/h9H,5-8,13H2,1-4H3,(H,14,15)

InChIKey

NCOAYDYNUYRLJH-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-amino-1-methylcyclohexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
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	155.0
[M+Na]+	251.172998	158.8
[M-H]-	227.176504	157.3
[M+NH4]+	246.217603	174.4
[M+K]+	267.146938	158.2
[M+H-H2O]+	211.181040	150.1
[M+HCOO]-	273.181981	173.7
[M+CH3COO]-	287.197631	193.9
[M+Na-2H]-	249.158446	158.4
[M]+	228.18323142	150.7
[M]-	228.18432858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe