CID 104562

6-amino-1-propyluracil

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CCCN1C(=CC(=O)NC1=O)N

InChI

InChI=1S/C7H11N3O2/c1-2-3-10-5(8)4-6(11)9-7(10)12/h4H,2-3,8H2,1H3,(H,9,11,12)

InChIKey

KTWOUYVBZDZRNV-UHFFFAOYSA-N

Compound name

6-amino-1-propylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 153
Patents: 169.08513 Da
Monoisotopic Mass: -0.4
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]+	170.092406	133.7
[M+Na]+	192.074348	144.0
[M-H]-	168.077854	133.8
[M+NH4]+	187.118953	150.9
[M+K]+	208.048288	140.7
[M+H-H2O]+	152.082390	127.0
[M+HCOO]-	214.083331	155.9
[M+CH3COO]-	228.098981	178.4
[M+Na-2H]-	190.059796	139.5
[M]+	169.08458142	132.9
[M]-	169.08567858	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe