CID 2113403

41806-09-1

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CN(C)C1(CCCCC1)CN

InChI

InChI=1S/C9H20N2/c1-11(2)9(8-10)6-4-3-5-7-9/h3-8,10H2,1-2H3

InChIKey

TYMAJBZHTKCAJJ-UHFFFAOYSA-N

Compound name

1-(aminomethyl)-N,N-dimethylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 102
Patents: 156.16264 Da
Monoisotopic Mass: 1.0
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]+	157.169916	137.0
[M+Na]+	179.151858	140.7
[M-H]-	155.155364	140.6
[M+NH4]+	174.196463	159.5
[M+K]+	195.125798	140.7
[M+H-H2O]+	139.159900	131.4
[M+HCOO]-	201.160841	159.1
[M+CH3COO]-	215.176491	184.5
[M+Na-2H]-	177.137306	142.0
[M]+	156.16209142	131.6
[M]-	156.16318858	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe