CID 11073521

16077-52-4

Structural Information

Molecular Formula

C₄H₆N₄O₂

SMILES

CC1=NNC(=O)N(C1=O)N

InChI

InChI=1S/C4H6N4O2/c1-2-3(9)8(5)4(10)7-6-2/h5H2,1H3,(H,7,10)

InChIKey

OBVMWVBNOLJKBG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1
Patents: 142.04907 Da
Monoisotopic Mass: -1.5
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]+	143.05635	125.1
[M+Na]+	165.03829	137.4
[M+NH4]+	160.08289	130.8
[M+K]+	181.01223	133.7
[M-H]-	141.04179	124.2
[M+Na-2H]-	163.02374	130.4
[M]+	142.04852	126.2
[M]-	142.04962	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe