CID 312953

20989-01-9

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

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

InChI

InChI=1S/C5H7N3O2/c6-2-3-1-4(9)8-5(10)7-3/h1H,2,6H2,(H2,7,8,9,10)

InChIKey

UMEHPGXESZPRFZ-UHFFFAOYSA-N

Compound name

6-(aminomethyl)-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 141.05383 Da
Monoisotopic Mass: -2.3
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]+	142.06111	125.2
[M+Na]+	164.04305	136.7
[M+NH4]+	159.08765	131.3
[M+K]+	180.01699	132.6
[M-H]-	140.04655	124.6
[M+Na-2H]-	162.02850	130.3
[M]+	141.05328	126.2
[M]-	141.05438	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe