CID 62233526

1,1,1-trifluorohex-5-yn-3-amine hydrochloride

Structural Information

Molecular Formula
C6H8F3N
SMILES
C#CCC(CC(F)(F)F)N
InChI
InChI=1S/C6H8F3N/c1-2-3-5(10)4-6(7,8)9/h1,5H,3-4,10H2
InChIKey
AUQIMLBEYWBIOG-UHFFFAOYSA-N
Compound name
1,1,1-trifluorohex-5-yn-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06088 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.06816 136.5
[M+Na]+ 174.05010 143.8
[M+NH4]+ 169.09470 138.6
[M+K]+ 190.02404 136.2
[M-H]- 150.05360 124.3
[M+Na-2H]- 172.03555 135.5
[M]+ 151.06033 133.0
[M]- 151.06143 133.0
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.