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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.