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]+ 187.071336 137.7
[M+Na]+ 209.053278 145.0
[M-H]- 185.056784 135.9
[M+NH4]+ 204.097883 153.3
[M+K]+ 225.027218 143.4
[M+H-H2O]+ 169.061320 131.1
[M+HCOO]- 231.062261 154.6
[M+CH3COO]- 245.077911 176.1
[M+Na-2H]- 207.038726 141.4
[M]+ 186.06351142 135.8
[M]- 186.06460858 135.8
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