CID 85931

3,3,5-trimethylcyclohexylamine

Structural Information

Molecular Formula
C9H19N
SMILES
CC1CC(CC(C1)(C)C)N
InChI
InChI=1S/C9H19N/c1-7-4-8(10)6-9(2,3)5-7/h7-8H,4-6,10H2,1-3H3
InChIKey
ZGMQLPDXPUINCQ-UHFFFAOYSA-N
Compound name
3,3,5-trimethylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

847
Patents

141.15175 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.15903 132.4
[M+Na]+ 164.14097 143.0
[M+NH4]+ 159.18557 143.3
[M+K]+ 180.11491 134.9
[M-H]- 140.14447 135.5
[M+Na-2H]- 162.12642 138.9
[M]+ 141.15120 134.8
[M]- 141.15230 134.8
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