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]+ 182.07872 136.6
[M+Na]+ 204.06066 143.6
[M-H]- 180.06416 133.6
[M+NH4]+ 199.10526 152.3
[M+K]+ 220.03460 143.2
[M+H-H2O]+ 164.06870 126.2
[M+HCOO]- 226.06964 149.0
[M+CH3COO]- 240.08529 177.4
[M+Na-2H]- 202.04611 141.0
[M]+ 181.07089 137.1
[M]- 181.07199 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.