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
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 |
Literature stripe
Patent stripe
No patent data available for this compound.