CID 215319

35451-72-0

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CC(CO)N1C(=O)C=CC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C13H14N2O2/c1-10(9-16)15-13(17)8-7-12(14-15)11-5-3-2-4-6-11/h2-8,10,16H,9H2,1H3
InChIKey
MLDIBEYATAAUOM-UHFFFAOYSA-N
Compound name
2-(1-hydroxypropan-2-yl)-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.112806 150.6
[M+Na]+ 253.094748 159.0
[M-H]- 229.098254 153.6
[M+NH4]+ 248.139353 165.1
[M+K]+ 269.068688 155.0
[M+H-H2O]+ 213.102790 142.1
[M+HCOO]- 275.103731 170.8
[M+CH3COO]- 289.119381 188.3
[M+Na-2H]- 251.080196 156.2
[M]+ 230.10498142 150.8
[M]- 230.10607858 150.8
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

No patent data available for this compound.