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]+ 166.08382 130.9
[M+Na]+ 188.06576 140.0
[M-H]- 164.06926 129.4
[M+NH4]+ 183.11036 145.8
[M+K]+ 204.03970 136.0
[M+H-H2O]+ 148.07380 122.5
[M+HCOO]- 210.07474 144.5
[M+CH3COO]- 224.09039 179.1
[M+Na-2H]- 186.05121 136.8
[M]+ 165.07599 124.7
[M]- 165.07709 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.