CID 23237085

3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H8F3N
SMILES
C1C2(CC1(C2)N)C(F)(F)F
InChI
InChI=1S/C6H8F3N/c7-6(8,9)4-1-5(10,2-4)3-4/h1-3,10H2
InChIKey
XQLPDYULYMGLGG-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

151.06088 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.06816 154.9
[M+Na]+ 174.05010 160.0
[M-H]- 150.05360 155.5
[M+NH4]+ 169.09470 161.7
[M+K]+ 190.02404 164.7
[M+H-H2O]+ 134.05814 140.9
[M+HCOO]- 196.05908 165.4
[M+CH3COO]- 210.07473 206.1
[M+Na-2H]- 172.03555 160.9
[M]+ 151.06033 174.5
[M]- 151.06143 174.5
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