CID 3021815

Trimethylcyclohexylamine

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

CC1(CCCCC1(C)N)C

InChI

InChI=1S/C9H19N/c1-8(2)6-4-5-7-9(8,3)10/h4-7,10H2,1-3H3

InChIKey

FVCWZBVQRLEGDH-UHFFFAOYSA-N

Compound name

1,2,2-trimethylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 677
Patents: 141.15175 Da
Monoisotopic Mass: 2.1
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]+	142.159026	131.5
[M+Na]+	164.140968	137.8
[M-H]-	140.144474	134.6
[M+NH4]+	159.185573	156.7
[M+K]+	180.114908	136.8
[M+H-H2O]+	124.149010	127.8
[M+HCOO]-	186.149951	152.1
[M+CH3COO]-	200.165601	177.0
[M+Na-2H]-	162.126416	137.6
[M]+	141.15120142	126.4
[M]-	141.15229858	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe