CID 18364430

1048918-81-5

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CNC1CCC(CC1)N(C)C

InChI

InChI=1S/C9H20N2/c1-10-8-4-6-9(7-5-8)11(2)3/h8-10H,4-7H2,1-3H3

InChIKey

HJANWHMCHVPVJK-UHFFFAOYSA-N

Compound name

1-N,4-N,4-N-trimethylcyclohexane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 156.16264 Da
Monoisotopic Mass: 1.2
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]+	157.16992	137.1
[M+Na]+	179.15186	140.7
[M-H]-	155.15536	141.2
[M+NH4]+	174.19646	158.1
[M+K]+	195.12580	140.9
[M+H-H2O]+	139.15990	130.8
[M+HCOO]-	201.16084	159.7
[M+CH3COO]-	215.17649	186.8
[M+Na-2H]-	177.13731	141.3
[M]+	156.16209	132.7
[M]-	156.16319	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe