CID 47003510

1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride

Structural Information

Molecular Formula
C6H8F3N
SMILES
C1C2C1(CNC2)C(F)(F)F
InChI
InChI=1S/C6H8F3N/c7-6(8,9)5-1-4(5)2-10-3-5/h4,10H,1-3H2
InChIKey
APMFRUCEZGLPEN-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

151.06088 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.06816 126.1
[M+Na]+ 174.05010 136.4
[M-H]- 150.05360 125.1
[M+NH4]+ 169.09470 144.9
[M+K]+ 190.02404 133.2
[M+H-H2O]+ 134.05814 119.2
[M+HCOO]- 196.05908 141.7
[M+CH3COO]- 210.07473 174.5
[M+Na-2H]- 172.03555 133.0
[M]+ 151.06033 121.7
[M]- 151.06143 121.7
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

patents stripe