CID 137016

1457-42-7

Structural Information

Molecular Formula
C4H4N2O
SMILES
C1=CC=[N+](N=C1)[O-]
InChI
InChI=1S/C4H4N2O/c7-6-4-2-1-3-5-6/h1-4H
InChIKey
GAJBWMUZVXJIBO-UHFFFAOYSA-N
Compound name
1-oxidopyridazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17159
Patents

96.032364 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.039640 113.2
[M+Na]+ 119.02158 122.2
[M-H]- 95.025088 113.2
[M+NH4]+ 114.06619 132.9
[M+K]+ 134.99552 116.7
[M+H-H2O]+ 79.029624 111.8
[M+HCOO]- 141.03056 136.2
[M+CH3COO]- 155.04622 154.1
[M+Na-2H]- 117.00703 125.6
[M]+ 96.031815 110.1
[M]- 96.032913 110.1
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