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]+ 182.07872 136.2
[M+Na]+ 204.06066 144.6
[M-H]- 180.06416 131.5
[M+NH4]+ 199.10526 160.6
[M+K]+ 220.03460 141.3
[M+H-H2O]+ 164.06870 130.5
[M+HCOO]- 226.06964 149.4
[M+CH3COO]- 240.08529 173.6
[M+Na-2H]- 202.04611 140.3
[M]+ 181.07089 128.2
[M]- 181.07199 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.