CID 697213

102613-14-9

Structural Information

Molecular Formula

C₈H₁₀N₂OS

SMILES

CC1=C(C(=O)NC(=S)N1)CC=C

InChI

InChI=1S/C8H10N2OS/c1-3-4-6-5(2)9-8(12)10-7(6)11/h3H,1,4H2,2H3,(H2,9,10,11,12)

InChIKey

IBWZVOPQOIWLAD-UHFFFAOYSA-N

Compound name

6-methyl-5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 182.05139 Da
Monoisotopic Mass: 1.1
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]+	183.05867	139.3
[M+Na]+	205.04061	152.0
[M+NH4]+	200.08521	146.2
[M+K]+	221.01455	143.9
[M-H]-	181.04411	139.1
[M+Na-2H]-	203.02606	143.5
[M]+	182.05084	141.3
[M]-	182.05194	141.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.