CID 56684062

853334-26-6

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CC1=CC(=C(C=C1)C2=NN(C(=O)C=C2)CCC(=O)O)C
InChI
InChI=1S/C15H16N2O3/c1-10-3-4-12(11(2)9-10)13-5-6-14(18)17(16-13)8-7-15(19)20/h3-6,9H,7-8H2,1-2H3,(H,19,20)
InChIKey
WSWRPCCJQYYKSN-UHFFFAOYSA-N
Compound name
3-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 162.4
[M+Na]+ 295.10532 176.9
[M+NH4]+ 290.14992 168.4
[M+K]+ 311.07926 170.8
[M-H]- 271.10882 164.3
[M+Na-2H]- 293.09077 169.4
[M]+ 272.11555 164.9
[M]- 272.11665 164.9
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.