CID 103961536

1-(1-methoxy-3,3,5,5-tetramethylcyclohexyl)methanamine hydrochloride

Structural Information

Molecular Formula
C12H25NO
SMILES
CC1(CC(CC(C1)(CN)OC)(C)C)C
InChI
InChI=1S/C12H25NO/c1-10(2)6-11(3,4)8-12(7-10,9-13)14-5/h6-9,13H2,1-5H3
InChIKey
OVFGBHWGBAWIOV-UHFFFAOYSA-N
Compound name
(1-methoxy-3,3,5,5-tetramethylcyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.19362 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.200896 144.0
[M+Na]+ 222.182838 151.0
[M-H]- 198.186344 147.3
[M+NH4]+ 217.227443 169.2
[M+K]+ 238.156778 150.1
[M+H-H2O]+ 182.190880 141.0
[M+HCOO]- 244.191821 163.8
[M+CH3COO]- 258.207471 189.2
[M+Na-2H]- 220.168286 149.5
[M]+ 199.19307142 142.4
[M]- 199.19416858 142.4
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

No patent data available for this compound.