CID 54593826

7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane hydrochloride

Structural Information

Molecular Formula
C7H10F3N
SMILES
C1CC2C(C2NC1)C(F)(F)F
InChI
InChI=1S/C7H10F3N/c8-7(9,10)5-4-2-1-3-11-6(4)5/h4-6,11H,1-3H2
InChIKey
CEPLETWJBJZUIU-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07654 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.083816 130.9
[M+Na]+ 188.065758 140.0
[M-H]- 164.069264 129.4
[M+NH4]+ 183.110363 145.8
[M+K]+ 204.039698 136.0
[M+H-H2O]+ 148.073800 122.5
[M+HCOO]- 210.074741 144.5
[M+CH3COO]- 224.090391 179.1
[M+Na-2H]- 186.051206 136.8
[M]+ 165.07599142 124.7
[M]- 165.07708858 124.7
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.