CID 58975143

N-(4-fluorophenyl)azetidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C9H11FN2
SMILES
C1C(CN1)NC2=CC=C(C=C2)F
InChI
InChI=1S/C9H11FN2/c10-7-1-3-8(4-2-7)12-9-5-11-6-9/h1-4,9,11-12H,5-6H2
InChIKey
BJUIFRGOYCPWPT-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)azetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

166.09062 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.09790 132.3
[M+Na]+ 189.07984 137.9
[M-H]- 165.08334 134.7
[M+NH4]+ 184.12444 144.0
[M+K]+ 205.05378 137.6
[M+H-H2O]+ 149.08788 119.1
[M+HCOO]- 211.08882 152.3
[M+CH3COO]- 225.10447 181.6
[M+Na-2H]- 187.06529 138.7
[M]+ 166.09007 135.2
[M]- 166.09117 135.2
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