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]+ 198.11003 140.6
[M+Na]+ 220.09197 146.6
[M-H]- 196.09547 138.0
[M+NH4]+ 215.13657 160.7
[M+K]+ 236.06591 144.2
[M+H-H2O]+ 180.10001 134.0
[M+HCOO]- 242.10095 155.5
[M+CH3COO]- 256.11660 181.7
[M+Na-2H]- 218.07742 144.5
[M]+ 197.10220 130.1
[M]- 197.10330 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