CID 25323913

2,5,6-trimethyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CC1=C(C(=O)N(N=C1C)C)C(=O)O
InChI
InChI=1S/C8H10N2O3/c1-4-5(2)9-10(3)7(11)6(4)8(12)13/h1-3H3,(H,12,13)
InChIKey
RHIRDMLVZNVVAP-UHFFFAOYSA-N
Compound name
2,5,6-trimethyl-3-oxopyridazine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06914 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 134.4
[M+Na]+ 205.05836 145.8
[M-H]- 181.06186 135.4
[M+NH4]+ 200.10296 151.9
[M+K]+ 221.03230 143.8
[M+H-H2O]+ 165.06640 128.2
[M+HCOO]- 227.06734 155.2
[M+CH3COO]- 241.08299 181.2
[M+Na-2H]- 203.04381 138.7
[M]+ 182.06859 137.0
[M]- 182.06969 137.0
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.