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

1
Annotation Hits: 2
References: 134
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]+	170.09241	133.8
[M+Na]+	192.07435	145.8
[M+NH4]+	187.11895	139.9
[M+K]+	208.04829	141.1
[M-H]-	168.07785	133.7
[M+Na-2H]-	190.05980	138.8
[M]+	169.08458	135.1
[M]-	169.08568	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe