CID 3024605

96641-19-9

Structural Information

Molecular Formula
C12H14N2O3
SMILES
COC1=CC=C(C=C1)C2=NNC(=O)CC2CO
InChI
InChI=1S/C12H14N2O3/c1-17-10-4-2-8(3-5-10)12-9(7-15)6-11(16)13-14-12/h2-5,9,15H,6-7H2,1H3,(H,13,16)
InChIKey
MZWBNVPXKXCTNT-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

234.10045 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 153.0
[M+Na]+ 257.08967 165.7
[M+NH4]+ 252.13427 159.4
[M+K]+ 273.06361 160.0
[M-H]- 233.09317 154.4
[M+Na-2H]- 255.07512 159.1
[M]+ 234.09990 155.0
[M]- 234.10100 155.0
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

patents stripe