CID 15877719

1-(2-hydroxyethyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C7H10N2O4
SMILES
C1CC(=O)N(N=C1C(=O)O)CCO
InChI
InChI=1S/C7H10N2O4/c10-4-3-9-6(11)2-1-5(8-9)7(12)13/h10H,1-4H2,(H,12,13)
InChIKey
PLKGUAYIPRNQCL-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.06406 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07134 139.0
[M+Na]+ 209.05328 148.4
[M+NH4]+ 204.09788 143.9
[M+K]+ 225.02722 145.5
[M-H]- 185.05678 136.5
[M+Na-2H]- 207.03873 141.3
[M]+ 186.06351 139.0
[M]- 186.06461 139.0
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.