CID 12327770

2-(3-oxo-2,3-dihydropyridazin-4-yl)acetic acid

Structural Information

Molecular Formula
C6H6N2O3
SMILES
C1=C(C(=O)NN=C1)CC(=O)O
InChI
InChI=1S/C6H6N2O3/c9-5(10)3-4-1-2-7-8-6(4)11/h1-2H,3H2,(H,8,11)(H,9,10)
InChIKey
SZPIDZDJXAGATI-UHFFFAOYSA-N
Compound name
2-(6-oxo-1H-pyridazin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.03784 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.045116 127.7
[M+Na]+ 177.027058 136.7
[M-H]- 153.030564 126.5
[M+NH4]+ 172.071663 144.6
[M+K]+ 193.000998 134.2
[M+H-H2O]+ 137.035100 121.2
[M+HCOO]- 199.036041 147.7
[M+CH3COO]- 213.051691 168.9
[M+Na-2H]- 175.012506 134.6
[M]+ 154.03729142 126.5
[M]- 154.03838858 126.5
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.