CID 125511609

N1,n1,1-trimethylcyclohexane-1,4-diamine

Structural Information

Molecular Formula
C9H20N2
SMILES
CC1(CCC(CC1)N)N(C)C
InChI
InChI=1S/C9H20N2/c1-9(11(2)3)6-4-8(10)5-7-9/h8H,4-7,10H2,1-3H3
InChIKey
HVEVCNLWVQAPHU-UHFFFAOYSA-N
Compound name
1-N,1-N,1-trimethylcyclohexane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

156.16264 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.169916 136.4
[M+Na]+ 179.151858 141.1
[M-H]- 155.155364 140.5
[M+NH4]+ 174.196463 159.3
[M+K]+ 195.125798 141.1
[M+H-H2O]+ 139.159900 131.2
[M+HCOO]- 201.160841 158.5
[M+CH3COO]- 215.176491 185.6
[M+Na-2H]- 177.137306 140.8
[M]+ 156.16209142 131.4
[M]- 156.16318858 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe