CID 103920

N-tert-butylcyclohexylamine

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

CC(C)(C)NC1CCCCC1

InChI

InChI=1S/C10H21N/c1-10(2,3)11-9-7-5-4-6-8-9/h9,11H,4-8H2,1-3H3

InChIKey

MTEWAFVECQBILW-UHFFFAOYSA-N

Compound name

N-tert-butylcyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1314
Patents: 155.1674 Da
Monoisotopic Mass: 2.6
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]+	156.17468	138.0
[M+Na]+	178.15662	141.5
[M-H]-	154.16012	140.6
[M+NH4]+	173.20122	158.7
[M+K]+	194.13056	140.5
[M+H-H2O]+	138.16466	132.7
[M+HCOO]-	200.16560	157.3
[M+CH3COO]-	214.18125	180.0
[M+Na-2H]-	176.14207	143.6
[M]+	155.16685	132.7
[M]-	155.16795	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe