CID 252109

(2-[(6-chloropyridazin-3-yl)oxy]ethyl)dimethylamine

Structural Information

Molecular Formula
C8H12ClN3O
SMILES
CN(C)CCOC1=NN=C(C=C1)Cl
InChI
InChI=1S/C8H12ClN3O/c1-12(2)5-6-13-8-4-3-7(9)10-11-8/h3-4H,5-6H2,1-2H3
InChIKey
ICFLXHWVQULLAJ-UHFFFAOYSA-N
Compound name
2-(6-chloropyridazin-3-yl)oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.0669 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.074176 140.6
[M+Na]+ 224.056118 149.3
[M-H]- 200.059624 142.8
[M+NH4]+ 219.100723 158.5
[M+K]+ 240.030058 147.3
[M+H-H2O]+ 184.064160 133.2
[M+HCOO]- 246.065101 160.0
[M+CH3COO]- 260.080751 188.9
[M+Na-2H]- 222.041566 147.9
[M]+ 201.06635142 145.3
[M]- 201.06744858 145.3
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

No patent data available for this compound.