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]+ 202.07418 140.6
[M+Na]+ 224.05612 149.3
[M-H]- 200.05962 142.8
[M+NH4]+ 219.10072 158.5
[M+K]+ 240.03006 147.3
[M+H-H2O]+ 184.06416 133.2
[M+HCOO]- 246.06510 160.0
[M+CH3COO]- 260.08075 188.9
[M+Na-2H]- 222.04157 147.9
[M]+ 201.06635 145.3
[M]- 201.06745 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.