CID 116087

63981-33-9

Structural Information

Molecular Formula

C₈H₁₃N₃O₂

SMILES

CCCN1C(=O)C=C(N(C1=O)C)N

InChI

InChI=1S/C8H13N3O2/c1-3-4-11-7(12)5-6(9)10(2)8(11)13/h5H,3-4,9H2,1-2H3

InChIKey

OIHHBESCFLISMR-UHFFFAOYSA-N

Compound name

6-amino-1-methyl-3-propylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 183.10077 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]+	184.10805	137.9
[M+Na]+	206.08999	150.7
[M+NH4]+	201.13459	144.2
[M+K]+	222.06393	145.6
[M-H]-	182.09349	138.4
[M+Na-2H]-	204.07544	143.1
[M]+	183.10022	139.6
[M]-	183.10132	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe