CID 70269

6-azathymine

Structural Information

Molecular Formula

C₄H₅N₃O₂

SMILES

CC1=NNC(=O)NC1=O

InChI

InChI=1S/C4H5N3O2/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)

InChIKey

XZWMZFQOHTWGQE-UHFFFAOYSA-N

Compound name

6-methyl-2H-1,2,4-triazine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 20
References: 1723
Patents: 127.03818 Da
Monoisotopic Mass: -0.3
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]+	128.04546	122.0
[M+Na]+	150.02740	134.9
[M+NH4]+	145.07200	128.0
[M+K]+	166.00134	130.6
[M-H]-	126.03090	120.4
[M+Na-2H]-	148.01285	127.6
[M]+	127.03763	123.0
[M]-	127.03873	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe