CID 566009

22441-51-6

Structural Information

Molecular Formula

C₇H₁₀N₂O₃

SMILES

CC1=CN(C(=O)NC1=O)CCO

InChI

InChI=1S/C7H10N2O3/c1-5-4-9(2-3-10)7(12)8-6(5)11/h4,10H,2-3H2,1H3,(H,8,11,12)

InChIKey

SHHSQYIHGYWCGS-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 170.06914 Da
Monoisotopic Mass: -1.2
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]+	171.07642	132.2
[M+Na]+	193.05836	142.9
[M-H]-	169.06186	131.4
[M+NH4]+	188.10296	149.2
[M+K]+	209.03230	139.7
[M+H-H2O]+	153.06640	125.9
[M+HCOO]-	215.06734	152.8
[M+CH3COO]-	229.08299	173.6
[M+Na-2H]-	191.04381	138.3
[M]+	170.06859	132.7
[M]-	170.06969	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe