CID 3021815

Trimethylcyclohexylamine

Structural Information

Molecular Formula
C9H19N
SMILES
CC1(CCCCC1(C)N)C
InChI
InChI=1S/C9H19N/c1-8(2)6-4-5-7-9(8,3)10/h4-7,10H2,1-3H3
InChIKey
FVCWZBVQRLEGDH-UHFFFAOYSA-N
Compound name
1,2,2-trimethylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

533
Patents

141.15175 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.15903 132.3
[M+Na]+ 164.14097 142.6
[M+NH4]+ 159.18557 144.6
[M+K]+ 180.11491 132.7
[M-H]- 140.14447 135.4
[M+Na-2H]- 162.12642 140.6
[M]+ 141.15120 134.9
[M]- 141.15230 134.9
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

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