CID 50990616

3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol hydrochloride

Structural Information

Molecular Formula
C8H12F3NO
SMILES
C1CC2CC(CC1N2)(C(F)(F)F)O
InChI
InChI=1S/C8H12F3NO/c9-8(10,11)7(13)3-5-1-2-6(4-7)12-5/h5-6,12-13H,1-4H2
InChIKey
RZACNMVDSIXILK-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

195.0871 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09438 140.8
[M+Na]+ 218.07632 148.0
[M-H]- 194.07982 135.4
[M+NH4]+ 213.12092 162.9
[M+K]+ 234.05026 144.3
[M+H-H2O]+ 178.08436 134.3
[M+HCOO]- 240.08530 151.4
[M+CH3COO]- 254.10095 176.5
[M+Na-2H]- 216.06177 145.6
[M]+ 195.08655 130.9
[M]- 195.08765 130.9
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