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]+ 200.20090 144.0
[M+Na]+ 222.18284 151.0
[M-H]- 198.18634 147.3
[M+NH4]+ 217.22744 169.2
[M+K]+ 238.15678 150.1
[M+H-H2O]+ 182.19088 141.0
[M+HCOO]- 244.19182 163.8
[M+CH3COO]- 258.20747 189.2
[M+Na-2H]- 220.16829 149.5
[M]+ 199.19307 142.4
[M]- 199.19417 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.