CID 165698394

Tert-butyl n-[2-amino-1-(1-methylcyclohexyl)ethyl]carbamate

Structural Information

Molecular Formula

C₁₄H₂₈N₂O₂

SMILES

CC1(CCCCC1)C(CN)NC(=O)OC(C)(C)C

InChI

InChI=1S/C14H28N2O2/c1-13(2,3)18-12(17)16-11(10-15)14(4)8-6-5-7-9-14/h11H,5-10,15H2,1-4H3,(H,16,17)

InChIKey

PDPXJQQAQRHGDA-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-amino-1-(1-methylcyclohexyl)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.2151 Da
Monoisotopic Mass: 2.8
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]+	257.222376	164.5
[M+Na]+	279.204318	166.3
[M-H]-	255.207824	166.1
[M+NH4]+	274.248923	182.4
[M+K]+	295.178258	165.8
[M+H-H2O]+	239.212360	159.2
[M+HCOO]-	301.213301	181.6
[M+CH3COO]-	315.228951	199.6
[M+Na-2H]-	277.189766	166.4
[M]+	256.21455142	160.0
[M]-	256.21564858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.