CID 494021

1074-48-2

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CC1=[N+](N=C(C=C1)OC)[O-]
InChI
InChI=1S/C6H8N2O2/c1-5-3-4-6(10-2)7-8(5)9/h3-4H,1-2H3
InChIKey
PGVUKMGRWXZNSD-UHFFFAOYSA-N
Compound name
3-methoxy-6-methyl-1-oxidopyridazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.05858 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 125.4
[M+Na]+ 163.04780 135.5
[M-H]- 139.05130 126.0
[M+NH4]+ 158.09240 144.0
[M+K]+ 179.02174 129.7
[M+H-H2O]+ 123.05584 123.9
[M+HCOO]- 185.05678 148.0
[M+CH3COO]- 199.07243 164.2
[M+Na-2H]- 161.03325 135.5
[M]+ 140.05803 125.2
[M]- 140.05913 125.2
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.