CID 582312

2-[(6-chloropyridazin-3-yl)amino]ethan-1-ol

Structural Information

Molecular Formula
C6H8ClN3O
SMILES
C1=CC(=NN=C1NCCO)Cl
InChI
InChI=1S/C6H8ClN3O/c7-5-1-2-6(10-9-5)8-3-4-11/h1-2,11H,3-4H2,(H,8,10)
InChIKey
OCSNMMYFHUBJGA-UHFFFAOYSA-N
Compound name
2-[(6-chloropyridazin-3-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

173.03558 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.04286 132.2
[M+Na]+ 196.02480 141.2
[M-H]- 172.02830 131.8
[M+NH4]+ 191.06940 149.8
[M+K]+ 211.99874 137.4
[M+H-H2O]+ 156.03284 125.7
[M+HCOO]- 218.03378 150.2
[M+CH3COO]- 232.04943 176.8
[M+Na-2H]- 194.01025 140.7
[M]+ 173.03503 133.0
[M]- 173.03613 133.0
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