CID 261499

13817-74-8

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

CN1C(=O)C=CC(=O)N1C2=CC=CC=C2

InChI

InChI=1S/C11H10N2O2/c1-12-10(14)7-8-11(15)13(12)9-5-3-2-4-6-9/h2-8H,1H3

InChIKey

HJHFNYLISJKDGC-UHFFFAOYSA-N

Compound name

1-methyl-2-phenylpyridazine-3,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 202.07423 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.08151	141.1
[M+Na]+	225.06345	157.5
[M+NH4]+	220.10805	148.9
[M+K]+	241.03739	150.4
[M-H]-	201.06695	144.3
[M+Na-2H]-	223.04890	150.9
[M]+	202.07368	144.4
[M]-	202.07478	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe