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 135.7
[M+Na]+ 205.04061 146.5
[M-H]- 181.04411 134.9
[M+NH4]+ 200.08521 152.9
[M+K]+ 221.01455 140.2
[M+H-H2O]+ 165.04865 129.9
[M+HCOO]- 227.04959 150.4
[M+CH3COO]- 241.06524 175.4
[M+Na-2H]- 203.02606 137.8
[M]+ 182.05084 135.1
[M]- 182.05194 135.1
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.