CID 232791

2417-22-3

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

CC1C(=O)NC(=O)NC1=O

InChI

InChI=1S/C5H6N2O3/c1-2-3(8)6-5(10)7-4(2)9/h2H,1H3,(H2,6,7,8,9,10)

InChIKey

GOMAEJQBTWAPAN-UHFFFAOYSA-N

Compound name

5-methyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 655
Patents: 142.03784 Da
Monoisotopic Mass: -0.7
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]+	143.045116	126.8
[M+Na]+	165.027058	135.6
[M-H]-	141.030564	125.3
[M+NH4]+	160.071663	144.5
[M+K]+	181.000998	133.0
[M+H-H2O]+	125.035100	121.1
[M+HCOO]-	187.036041	143.9
[M+CH3COO]-	201.051691	167.7
[M+Na-2H]-	163.012506	131.0
[M]+	142.03729142	121.6
[M]-	142.03838858	121.6

Literature stripe

literature stripe

Patent stripe

patents stripe