CID 11230092

153239-91-9

Structural Information

Molecular Formula
C5H5IN2O
SMILES
CN1C(=O)C=C(C=N1)I
InChI
InChI=1S/C5H5IN2O/c1-8-5(9)2-4(6)3-7-8/h2-3H,1H3
InChIKey
ZZVTUADLCFBPGZ-UHFFFAOYSA-N
Compound name
5-iodo-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

235.94466 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.951936 125.7
[M+Na]+ 258.933878 129.5
[M-H]- 234.937384 120.6
[M+NH4]+ 253.978483 140.7
[M+K]+ 274.907818 133.8
[M+H-H2O]+ 218.941920 115.8
[M+HCOO]- 280.942861 144.1
[M+CH3COO]- 294.958511 180.1
[M+Na-2H]- 256.919326 122.4
[M]+ 235.94411142 124.3
[M]- 235.94520858 124.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe