CID 93556

Dihydrothymine

Structural Information

Molecular Formula

C₅H₈N₂O₂

SMILES

CC1CNC(=O)NC1=O

InChI

InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)

InChIKey

NBAKTGXDIBVZOO-UHFFFAOYSA-N

Compound name

5-methyl-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 72
References: 3007
Patents: 128.05858 Da
Monoisotopic Mass: -0.6
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]+	129.065856	125.8
[M+Na]+	151.047798	133.5
[M-H]-	127.051304	123.9
[M+NH4]+	146.092403	143.9
[M+K]+	167.021738	131.0
[M+H-H2O]+	111.055840	119.9
[M+HCOO]-	173.056781	142.5
[M+CH3COO]-	187.072431	165.1
[M+Na-2H]-	149.033246	130.6
[M]+	128.05803142	119.5
[M]-	128.05912858	119.5

Literature stripe

literature stripe

Patent stripe

patents stripe