CID 453566

81777-50-6

Structural Information

Molecular Formula

C₇H₉ClN₂O₄

SMILES

C1=C(C(=O)NC(=O)N1COCCO)Cl

InChI

InChI=1S/C7H9ClN2O4/c8-5-3-10(4-14-2-1-11)7(13)9-6(5)12/h3,11H,1-2,4H2,(H,9,12,13)

InChIKey

IRBWPPLZXNTYMN-UHFFFAOYSA-N

Compound name

5-chloro-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 220.02509 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]+	221.03237	138.9
[M+Na]+	243.01431	150.1
[M-H]-	219.01781	138.0
[M+NH4]+	238.05891	154.7
[M+K]+	258.98825	145.7
[M+H-H2O]+	203.02235	133.1
[M+HCOO]-	265.02329	155.1
[M+CH3COO]-	279.03894	179.7
[M+Na-2H]-	240.99976	144.7
[M]+	220.02454	142.7
[M]-	220.02564	142.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.