CID 69897

777-47-9

Structural Information

Molecular Formula

C₇H₈N₂O₅

SMILES

C1=C(NC(=O)NC1=O)C(=O)OCCO

InChI

InChI=1S/C7H8N2O5/c10-1-2-14-6(12)4-3-5(11)9-7(13)8-4/h3,10H,1-2H2,(H2,8,9,11,13)

InChIKey

PGYQFUVZGAZRKS-UHFFFAOYSA-N

Compound name

2-hydroxyethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.04332 Da
Monoisotopic Mass: -1.6
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]+	201.050596	137.4
[M+Na]+	223.032538	146.5
[M-H]-	199.036044	135.0
[M+NH4]+	218.077143	151.8
[M+K]+	239.006478	143.4
[M+H-H2O]+	183.040580	130.7
[M+HCOO]-	245.041521	156.0
[M+CH3COO]-	259.057171	173.9
[M+Na-2H]-	221.017986	142.5
[M]+	200.04277142	137.1
[M]-	200.04386858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.