CID 71656094

6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane hydrochloride

Structural Information

Molecular Formula
C6H8F3N
SMILES
C1CNC2C1C2C(F)(F)F
InChI
InChI=1S/C6H8F3N/c7-6(8,9)4-3-1-2-10-5(3)4/h3-5,10H,1-2H2
InChIKey
KVCSRQUURKKCKG-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

151.06088 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.068156 124.9
[M+Na]+ 174.050098 135.4
[M-H]- 150.053604 123.9
[M+NH4]+ 169.094703 142.1
[M+K]+ 190.024038 131.2
[M+H-H2O]+ 134.058140 117.2
[M+HCOO]- 196.059081 140.7
[M+CH3COO]- 210.074731 176.0
[M+Na-2H]- 172.035546 130.2
[M]+ 151.06033142 120.5
[M]- 151.06142858 120.5
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