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

224
Patents

183.1987 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.205976 143.5
[M+Na]+ 206.187918 149.5
[M-H]- 182.191424 146.4
[M+NH4]+ 201.232523 167.4
[M+K]+ 222.161858 147.8
[M+H-H2O]+ 166.195960 139.6
[M+HCOO]- 228.196901 163.1
[M+CH3COO]- 242.212551 187.3
[M+Na-2H]- 204.173366 147.4
[M]+ 183.19815142 139.9
[M]- 183.19924858 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