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

27
Patents

156.16264 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.16992 136.4
[M+Na]+ 179.15186 141.1
[M-H]- 155.15536 140.5
[M+NH4]+ 174.19646 159.3
[M+K]+ 195.12580 141.1
[M+H-H2O]+ 139.15990 131.2
[M+HCOO]- 201.16084 158.5
[M+CH3COO]- 215.17649 185.6
[M+Na-2H]- 177.13731 140.8
[M]+ 156.16209 131.4
[M]- 156.16319 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