CID 55254426

1896751-89-5

Structural Information

Molecular Formula

C₆H₉N₃O₂

SMILES

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

InChI

InChI=1S/C6H9N3O2/c7-2-1-4-3-5(10)9-6(11)8-4/h3H,1-2,7H2,(H2,8,9,10,11)

InChIKey

JJIRVHQXOLYDNN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 155.06947 Da
Monoisotopic Mass: -1.8
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]+	156.07675	129.7
[M+Na]+	178.05869	140.9
[M+NH4]+	173.10329	135.5
[M+K]+	194.03263	136.6
[M-H]-	154.06219	129.0
[M+Na-2H]-	176.04414	134.5
[M]+	155.06892	130.6
[M]-	155.07002	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe