CID 4995094

34654-80-3

Structural Information

Molecular Formula

C₉H₁₅N₃O₃

SMILES

CN1C(=CC(=O)N(C1=O)C)NCCCO

InChI

InChI=1S/C9H15N3O3/c1-11-7(10-4-3-5-13)6-8(14)12(2)9(11)15/h6,10,13H,3-5H2,1-2H3

InChIKey

PBIJDBVKVFZACL-UHFFFAOYSA-N

Compound name

6-(3-hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 213.11134 Da
Monoisotopic Mass: -0.2
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]+	214.11862	145.9
[M+Na]+	236.10056	157.6
[M+NH4]+	231.14516	151.2
[M+K]+	252.07450	152.9
[M-H]-	212.10406	145.4
[M+Na-2H]-	234.08601	150.1
[M]+	213.11079	147.0
[M]-	213.11189	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe