CID 22639563

2-(1h-indazol-3-yl)ethanamine dihydrochloride

Structural Information

Molecular Formula
C9H11N3
SMILES
C1=CC2=C(NN=C2C=C1)CCN
InChI
InChI=1S/C9H11N3/c10-6-5-9-7-3-1-2-4-8(7)11-12-9/h1-4H,5-6,10H2,(H,11,12)
InChIKey
YTADWSDGULTVBB-UHFFFAOYSA-N
Compound name
2-(2H-indazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

161.09529 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.102566 131.7
[M+Na]+ 184.084508 141.3
[M-H]- 160.088014 132.3
[M+NH4]+ 179.129113 151.8
[M+K]+ 200.058448 137.0
[M+H-H2O]+ 144.092550 124.7
[M+HCOO]- 206.093491 154.8
[M+CH3COO]- 220.109141 145.0
[M+Na-2H]- 182.069956 139.9
[M]+ 161.09474142 130.5
[M]- 161.09583858 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe