CID 649

Dihydrouracil

Structural Information

Molecular Formula

C₄H₆N₂O₂

SMILES

C1CNC(=O)NC1=O

InChI

InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)

InChIKey

OIVLITBTBDPEFK-UHFFFAOYSA-N

Compound name

1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 872
References: 39624
Patents: 114.04293 Da
Monoisotopic Mass: -1.1
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]+	115.05021	121.5
[M+Na]+	137.03215	128.6
[M-H]-	113.03565	119.4
[M+NH4]+	132.07675	139.9
[M+K]+	153.00609	126.4
[M+H-H2O]+	97.040190	115.5
[M+HCOO]-	159.04113	138.5
[M+CH3COO]-	173.05678	160.9
[M+Na-2H]-	135.01760	127.6
[M]+	114.04238	114.4
[M]-	114.04348	114.4

Literature stripe

literature stripe

Patent stripe

patents stripe