CID 487260

98334-84-0

Structural Information

Molecular Formula
C7H10N2O3
SMILES
C1CC(=O)NN=C1CCC(=O)O
InChI
InChI=1S/C7H10N2O3/c10-6-3-1-5(8-9-6)2-4-7(11)12/h1-4H2,(H,9,10)(H,11,12)
InChIKey
BDGYTUXXYSPFCF-UHFFFAOYSA-N
Compound name
3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

170.06914 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.076416 135.5
[M+Na]+ 193.058358 142.0
[M-H]- 169.061864 133.3
[M+NH4]+ 188.102963 151.6
[M+K]+ 209.032298 139.8
[M+H-H2O]+ 153.066400 128.8
[M+HCOO]- 215.067341 152.2
[M+CH3COO]- 229.082991 172.6
[M+Na-2H]- 191.043806 139.9
[M]+ 170.06859142 131.8
[M]- 170.06968858 131.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe