CID 10081069

2-(3,3,5,5-tetramethylcyclohexyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H25N
SMILES
CC1(CC(CC(C1)(C)C)CCN)C
InChI
InChI=1S/C12H25N/c1-11(2)7-10(5-6-13)8-12(3,4)9-11/h10H,5-9,13H2,1-4H3
InChIKey
OIHULWBOFIEYPQ-UHFFFAOYSA-N
Compound name
2-(3,3,5,5-tetramethylcyclohexyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

183.1987 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.20598 143.5
[M+Na]+ 206.18792 149.5
[M-H]- 182.19142 146.4
[M+NH4]+ 201.23252 167.4
[M+K]+ 222.16186 147.8
[M+H-H2O]+ 166.19596 139.6
[M+HCOO]- 228.19690 163.1
[M+CH3COO]- 242.21255 187.3
[M+Na-2H]- 204.17337 147.4
[M]+ 183.19815 139.9
[M]- 183.19925 139.9
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