CID 54685619

4966-90-9

Structural Information

Molecular Formula

C₆H₆N₂O₄

SMILES

CC1=CC(=C(C(=O)N1)[N+](=O)[O-])O

InChI

InChI=1S/C6H6N2O4/c1-3-2-4(9)5(8(11)12)6(10)7-3/h2H,1H3,(H2,7,9,10)

InChIKey

QIKWTNPFTOEELW-UHFFFAOYSA-N

Compound name

4-hydroxy-6-methyl-3-nitro-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 221
Patents: 170.03276 Da
Monoisotopic Mass: 0.5
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]+	171.04004	129.3
[M+Na]+	193.02198	142.4
[M+NH4]+	188.06658	135.9
[M+K]+	208.99592	140.9
[M-H]-	169.02548	130.3
[M+Na-2H]-	191.00743	134.3
[M]+	170.03221	131.1
[M]-	170.03331	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe