CID 64759262

1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol hydrochloride

Structural Information

Molecular Formula
C8H14F3NO
SMILES
C1CC(CC(C1)(CN)O)C(F)(F)F
InChI
InChI=1S/C8H14F3NO/c9-8(10,11)6-2-1-3-7(13,4-6)5-12/h6,13H,1-5,12H2
InChIKey
LBZPPFQFWUNZAQ-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

197.10275 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11003 144.5
[M+Na]+ 220.09197 150.3
[M+NH4]+ 215.13657 151.2
[M+K]+ 236.06591 144.7
[M-H]- 196.09547 141.0
[M+Na-2H]- 218.07742 147.5
[M]+ 197.10220 144.0
[M]- 197.10330 144.0
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