CID 131183290

1-(3,3-difluorocyclobutyl)prop-2-yn-1-aminehydrochloride

Structural Information

Molecular Formula
C7H9F2N
SMILES
C#CC(C1CC(C1)(F)F)N
InChI
InChI=1S/C7H9F2N/c1-2-6(10)5-3-7(8,9)4-5/h1,5-6H,3-4,10H2
InChIKey
NRNOBDKDIRTIJS-UHFFFAOYSA-N
Compound name
1-(3,3-difluorocyclobutyl)prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.07031 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.07759 125.7
[M+Na]+ 168.05953 133.9
[M-H]- 144.06303 125.8
[M+NH4]+ 163.10413 140.3
[M+K]+ 184.03347 134.9
[M+H-H2O]+ 128.06757 110.3
[M+HCOO]- 190.06851 139.9
[M+CH3COO]- 204.08416 189.2
[M+Na-2H]- 166.04498 128.9
[M]+ 145.06976 123.0
[M]- 145.07086 123.0
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.