CID 3055395

72361-29-6

Structural Information

Molecular Formula

C₉H₁₃N₃O₂

SMILES

CCN1C(=CC(=O)N(C1=O)CC=C)N

InChI

InChI=1S/C9H13N3O2/c1-3-5-12-8(13)6-7(10)11(4-2)9(12)14/h3,6H,1,4-5,10H2,2H3

InChIKey

VQHXZPNWCYIWNV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 195.10077 Da
Monoisotopic Mass: -0.1
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]+	196.10805	140.3
[M+Na]+	218.08999	151.5
[M-H]-	194.09349	141.9
[M+NH4]+	213.13459	157.5
[M+K]+	234.06393	148.0
[M+H-H2O]+	178.09803	133.3
[M+HCOO]-	240.09897	163.6
[M+CH3COO]-	254.11462	187.3
[M+Na-2H]-	216.07544	144.9
[M]+	195.10022	141.8
[M]-	195.10132	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe