CID 65912221

Tert-butyl n-[2-amino-1-(4-methylcyclohexyl)ethyl]carbamate

Structural Information

Molecular Formula

C₁₄H₂₈N₂O₂

SMILES

CC1CCC(CC1)C(CN)NC(=O)OC(C)(C)C

InChI

InChI=1S/C14H28N2O2/c1-10-5-7-11(8-6-10)12(9-15)16-13(17)18-14(2,3)4/h10-12H,5-9,15H2,1-4H3,(H,16,17)

InChIKey

WCTFOUSSKZTZAO-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-amino-1-(4-methylcyclohexyl)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.2151 Da
Monoisotopic Mass: 2.7
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	165.1
[M+Na]+	279.204318	166.9
[M-H]-	255.207824	166.8
[M+NH4]+	274.248923	181.2
[M+K]+	295.178258	166.0
[M+H-H2O]+	239.212360	158.8
[M+HCOO]-	301.213301	182.2
[M+CH3COO]-	315.228951	201.3
[M+Na-2H]-	277.189766	164.9
[M]+	256.21455142	160.6
[M]-	256.21564858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.