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

26
Patents

197.10275 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.110026 140.6
[M+Na]+ 220.091968 146.6
[M-H]- 196.095474 138.0
[M+NH4]+ 215.136573 160.7
[M+K]+ 236.065908 144.2
[M+H-H2O]+ 180.100010 134.0
[M+HCOO]- 242.100951 155.5
[M+CH3COO]- 256.116601 181.7
[M+Na-2H]- 218.077416 144.5
[M]+ 197.10220142 130.1
[M]- 197.10329858 130.1
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