CID 58970199

1-(pyridin-4-yl)azetidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C8H11N3
SMILES
C1C(CN1C2=CC=NC=C2)N
InChI
InChI=1S/C8H11N3/c9-7-5-11(6-7)8-1-3-10-4-2-8/h1-4,7H,5-6,9H2
InChIKey
GQRAQGJDVBARGL-UHFFFAOYSA-N
Compound name
1-pyridin-4-ylazetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

149.09529 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.102566 129.7
[M+Na]+ 172.084508 136.2
[M-H]- 148.088014 133.0
[M+NH4]+ 167.129113 141.3
[M+K]+ 188.058448 136.9
[M+H-H2O]+ 132.092550 116.5
[M+HCOO]- 194.093491 150.6
[M+CH3COO]- 208.109141 180.5
[M+Na-2H]- 170.069956 136.7
[M]+ 149.09474142 134.7
[M]- 149.09583858 134.7
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