CID 377826

96017-24-2

Structural Information

Molecular Formula
C5H7ClN4O
SMILES
CN(C1=C(C(=O)NN=C1)Cl)N
InChI
InChI=1S/C5H7ClN4O/c1-10(7)3-2-8-9-5(11)4(3)6/h2H,7H2,1H3,(H,9,11)
InChIKey
PWXHTVDRBCSDOJ-UHFFFAOYSA-N
Compound name
4-[amino(methyl)amino]-5-chloro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

174.03084 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03812 132.0
[M+Na]+ 197.02006 142.0
[M-H]- 173.02356 133.2
[M+NH4]+ 192.06466 149.9
[M+K]+ 212.99400 138.7
[M+H-H2O]+ 157.02810 125.6
[M+HCOO]- 219.02904 151.4
[M+CH3COO]- 233.04469 182.0
[M+Na-2H]- 195.00551 138.8
[M]+ 174.03029 131.7
[M]- 174.03139 131.7
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.