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

21
Patents

166.09062 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.097896 132.3
[M+Na]+ 189.079838 137.9
[M-H]- 165.083344 134.7
[M+NH4]+ 184.124443 144.0
[M+K]+ 205.053778 137.6
[M+H-H2O]+ 149.087880 119.1
[M+HCOO]- 211.088821 152.3
[M+CH3COO]- 225.104471 181.6
[M+Na-2H]- 187.065286 138.7
[M]+ 166.09007142 135.2
[M]- 166.09116858 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