CID 15218502

90585-93-6

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

C1=C(C(=O)NC(=O)N1)CN

InChI

InChI=1S/C5H7N3O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,1,6H2,(H2,7,8,9,10)

InChIKey

YJHUFZQMNTWHBO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 834
Patents: 141.05383 Da
Monoisotopic Mass: -2.2
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]+	142.06111	125.4
[M+Na]+	164.04305	135.3
[M-H]-	140.04655	124.1
[M+NH4]+	159.08765	142.7
[M+K]+	180.01699	131.5
[M+H-H2O]+	124.05109	119.1
[M+HCOO]-	186.05203	146.8
[M+CH3COO]-	200.06768	168.6
[M+Na-2H]-	162.02850	132.5
[M]+	141.05328	121.6
[M]-	141.05438	121.6

Literature stripe

literature stripe

Patent stripe

patents stripe