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
3
Annotation Hits

0
References

832
Patents

141.15175 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.159026 132.2
[M+Na]+ 164.140968 138.5
[M-H]- 140.144474 135.3
[M+NH4]+ 159.185573 155.7
[M+K]+ 180.114908 137.2
[M+H-H2O]+ 124.149010 127.9
[M+HCOO]- 186.149951 152.8
[M+CH3COO]- 200.165601 178.4
[M+Na-2H]- 162.126416 136.4
[M]+ 141.15120142 127.0
[M]- 141.15229858 127.0
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