CID 2806901
6601-05-4
Structural Information
- Molecular Formula
- C9H20N4S
- SMILES
- CCN(CC)CCN1CNC(=S)NC1
- InChI
- InChI=1S/C9H20N4S/c1-3-12(4-2)5-6-13-7-10-9(14)11-8-13/h3-8H2,1-2H3,(H2,10,11,14)
- InChIKey
- SFWYITXKQNSUBC-UHFFFAOYSA-N
- Compound name
- 5-[2-(diethylamino)ethyl]-1,3,5-triazinane-2-thione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 217.14815 | 150.9 |
[M+Na]+ | 239.13009 | 155.3 |
[M-H]- | 215.13359 | 148.0 |
[M+NH4]+ | 234.17469 | 165.0 |
[M+K]+ | 255.10403 | 151.5 |
[M+H-H2O]+ | 199.13813 | 143.0 |
[M+HCOO]- | 261.13907 | 160.6 |
[M+CH3COO]- | 275.15472 | 187.8 |
[M+Na-2H]- | 237.11554 | 151.0 |
[M]+ | 216.14032 | 146.7 |
[M]- | 216.14142 | 146.7 |