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

148
Patents

151.06088 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.068156 154.9
[M+Na]+ 174.050098 160.0
[M-H]- 150.053604 155.5
[M+NH4]+ 169.094703 161.7
[M+K]+ 190.024038 164.7
[M+H-H2O]+ 134.058140 140.9
[M+HCOO]- 196.059081 165.4
[M+CH3COO]- 210.074731 206.1
[M+Na-2H]- 172.035546 160.9
[M]+ 151.06033142 174.5
[M]- 151.06142858 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