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

151
Patents

170.1783 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.185576 142.1
[M+Na]+ 193.167518 145.3
[M-H]- 169.171024 145.5
[M+NH4]+ 188.212123 162.3
[M+K]+ 209.141458 144.9
[M+H-H2O]+ 153.175560 135.6
[M+HCOO]- 215.176501 163.8
[M+CH3COO]- 229.192151 189.1
[M+Na-2H]- 191.152966 144.7
[M]+ 170.17775142 137.1
[M]- 170.17884858 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe