CID 50989374

6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane hydrochloride

Structural Information

Molecular Formula
C7H10F3N
SMILES
C1CNCC2C1(C2)C(F)(F)F
InChI
InChI=1S/C7H10F3N/c8-7(9,10)6-1-2-11-4-5(6)3-6/h5,11H,1-4H2
InChIKey
HBGLOVDOAHTLPT-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07654 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08382 132.5
[M+Na]+ 188.06576 141.5
[M-H]- 164.06926 131.1
[M+NH4]+ 183.11036 149.0
[M+K]+ 204.03970 138.5
[M+H-H2O]+ 148.07380 124.8
[M+HCOO]- 210.07474 145.8
[M+CH3COO]- 224.09039 177.6
[M+Na-2H]- 186.05121 140.0
[M]+ 165.07599 126.4
[M]- 165.07709 126.4
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.