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 152.3
[M+Na]+ 257.08967 159.8
[M-H]- 233.09317 153.7
[M+NH4]+ 252.13427 166.1
[M+K]+ 273.06361 155.7
[M+H-H2O]+ 217.09771 144.1
[M+HCOO]- 279.09865 169.6
[M+CH3COO]- 293.11430 185.9
[M+Na-2H]- 255.07512 156.4
[M]+ 234.09990 149.9
[M]- 234.10100 149.9
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

patents stripe