CID 50990620

6-(trifluoromethyl)-2-azabicyclo[2.2.1]heptan-6-ol hydrochloride

Structural Information

Molecular Formula
C7H10F3NO
SMILES
C1C2CC(C1NC2)(C(F)(F)F)O
InChI
InChI=1S/C7H10F3NO/c8-7(9,10)6(12)2-4-1-5(6)11-3-4/h4-5,11-12H,1-3H2
InChIKey
KDUZYHDGQUZWSS-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-2-azabicyclo[2.2.1]heptan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.07144 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.078716 136.2
[M+Na]+ 204.060658 144.6
[M-H]- 180.064164 131.5
[M+NH4]+ 199.105263 160.6
[M+K]+ 220.034598 141.3
[M+H-H2O]+ 164.068700 130.5
[M+HCOO]- 226.069641 149.4
[M+CH3COO]- 240.085291 173.6
[M+Na-2H]- 202.046106 140.3
[M]+ 181.07089142 128.2
[M]- 181.07198858 128.2
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.