CID 349884

N,n-diethyl-1,4-cyclohexanediamine

Structural Information

Molecular Formula

C₁₀H₂₂N₂

SMILES

CCN(CC)C1CCC(CC1)N

InChI

InChI=1S/C10H22N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h9-10H,3-8,11H2,1-2H3

InChIKey

ZFWPGRUTHAZDBK-UHFFFAOYSA-N

Compound name

4-N,4-N-diethylcyclohexane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 165
Patents: 170.1783 Da
Monoisotopic Mass: 1.4
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]+	171.18558	142.1
[M+Na]+	193.16752	145.3
[M-H]-	169.17102	145.5
[M+NH4]+	188.21212	162.3
[M+K]+	209.14146	144.9
[M+H-H2O]+	153.17556	135.6
[M+HCOO]-	215.17650	163.8
[M+CH3COO]-	229.19215	189.1
[M+Na-2H]-	191.15297	144.7
[M]+	170.17775	137.1
[M]-	170.17885	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe