CID 44147309

Brn 5528149

Structural Information

Molecular Formula
C9H13ClN4O
SMILES
C/C(=N/NC1=NN=C(C=C1)Cl)/CCOC
InChI
InChI=1S/C9H13ClN4O/c1-7(5-6-15-2)11-13-9-4-3-8(10)12-14-9/h3-4H,5-6H2,1-2H3,(H,13,14)/b11-7-
InChIKey
QCHIQDVHLSNDNJ-XFFZJAGNSA-N
Compound name
6-chloro-N-[(Z)-4-methoxybutan-2-ylideneamino]pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.07779 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08507 148.9
[M+Na]+ 251.06701 156.7
[M-H]- 227.07051 151.0
[M+NH4]+ 246.11161 165.3
[M+K]+ 267.04095 153.8
[M+H-H2O]+ 211.07505 141.0
[M+HCOO]- 273.07599 169.2
[M+CH3COO]- 287.09164 195.3
[M+Na-2H]- 249.05246 156.0
[M]+ 228.07724 152.5
[M]- 228.07834 152.5
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.