CID 81504

1-allyl-6-amino-3-methyluracil

Structural Information

Molecular Formula

C₈H₁₁N₃O₂

SMILES

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

InChI

InChI=1S/C8H11N3O2/c1-3-4-11-6(9)5-7(12)10(2)8(11)13/h3,5H,1,4,9H2,2H3

InChIKey

OCSRIEOBSUDSMV-UHFFFAOYSA-N

Compound name

6-amino-3-methyl-1-prop-2-enylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.08513 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]+	182.09241	135.8
[M+Na]+	204.07435	147.4
[M-H]-	180.07785	137.5
[M+NH4]+	199.11895	153.5
[M+K]+	220.04829	144.1
[M+H-H2O]+	164.08239	129.0
[M+HCOO]-	226.08333	159.4
[M+CH3COO]-	240.09898	184.3
[M+Na-2H]-	202.05980	140.9
[M]+	181.08458	136.9
[M]-	181.08568	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe