CID 28924765

2-(pyridazin-4-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C6H9N3
SMILES
C1=CN=NC=C1CCN
InChI
InChI=1S/C6H9N3/c7-3-1-6-2-4-8-9-5-6/h2,4-5H,1,3,7H2
InChIKey
XLHRTJGOOHOOGQ-UHFFFAOYSA-N
Compound name
2-pyridazin-4-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

123.07965 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.086926 123.5
[M+Na]+ 146.068868 131.5
[M-H]- 122.072374 124.0
[M+NH4]+ 141.113473 142.6
[M+K]+ 162.042808 129.6
[M+H-H2O]+ 106.076910 116.3
[M+HCOO]- 168.077851 146.9
[M+CH3COO]- 182.093501 171.7
[M+Na-2H]- 144.054316 132.9
[M]+ 123.07910142 121.6
[M]- 123.08019858 121.6
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