CID 3021742

Brn 5560027

Structural Information

Molecular Formula
C9H13ClN4O2
SMILES
CCOC(=O)CCNNC1=NN=C(C=C1)Cl
InChI
InChI=1S/C9H13ClN4O2/c1-2-16-9(15)5-6-11-13-8-4-3-7(10)12-14-8/h3-4,11H,2,5-6H2,1H3,(H,13,14)
InChIKey
RNBLSXAQKDFWOX-UHFFFAOYSA-N
Compound name
ethyl 3-[2-(6-chloropyridazin-3-yl)hydrazinyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.07271 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07999 151.4
[M+Na]+ 267.06193 158.6
[M-H]- 243.06543 152.1
[M+NH4]+ 262.10653 166.3
[M+K]+ 283.03587 155.3
[M+H-H2O]+ 227.06997 143.6
[M+HCOO]- 289.07091 170.4
[M+CH3COO]- 303.08656 194.9
[M+Na-2H]- 265.04738 158.0
[M]+ 244.07216 154.5
[M]- 244.07326 154.5
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.