CID 155820702

Rac-(1r,5r,6s)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol hydrochloride

Structural Information

Molecular Formula
C7H10F3NO
SMILES
C1CN[C@@H]2[C@H]1[C@](C2)(C(F)(F)F)O
InChI
InChI=1S/C7H10F3NO/c8-7(9,10)6(12)3-5-4(6)1-2-11-5/h4-5,11-12H,1-3H2/t4-,5-,6+/m0/s1
InChIKey
CWBIIJWOEATWLC-HCWXCVPCSA-N
Compound name
(1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]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 136.6
[M+Na]+ 204.060658 143.6
[M-H]- 180.064164 133.6
[M+NH4]+ 199.105263 152.3
[M+K]+ 220.034598 143.2
[M+H-H2O]+ 164.068700 126.2
[M+HCOO]- 226.069641 149.0
[M+CH3COO]- 240.085291 177.4
[M+Na-2H]- 202.046106 141.0
[M]+ 181.07089142 137.1
[M]- 181.07198858 137.1
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

No patent data available for this compound.