CID 154577015

6-acetylpyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C7H6N2O3
SMILES
CC(=O)C1=NN=C(C=C1)C(=O)O
InChI
InChI=1S/C7H6N2O3/c1-4(10)5-2-3-6(7(11)12)9-8-5/h2-3H,1H3,(H,11,12)
InChIKey
FDUWGTYZDYGJIA-UHFFFAOYSA-N
Compound name
6-acetylpyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

166.03784 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.045116 130.8
[M+Na]+ 189.027058 139.5
[M-H]- 165.030564 130.9
[M+NH4]+ 184.071663 147.8
[M+K]+ 205.000998 138.2
[M+H-H2O]+ 149.035100 124.0
[M+HCOO]- 211.036041 151.0
[M+CH3COO]- 225.051691 175.3
[M+Na-2H]- 187.012506 136.6
[M]+ 166.03729142 131.2
[M]- 166.03838858 131.2
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

patents stripe