CID 2818227
4858-31-5
Structural Information
- Molecular Formula
- C14H26N2S3
- SMILES
- CCCCCCCCCCCCSC1=NNC(=S)S1
- InChI
- InChI=1S/C14H26N2S3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-16-15-13(17)19-14/h2-12H2,1H3,(H,15,17)
- InChIKey
- WSYQMMUOSGMAAH-UHFFFAOYSA-N
- Compound name
- 5-dodecylsulfanyl-3H-1,3,4-thiadiazole-2-thione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 319.13310 | 166.9 |
[M+Na]+ | 341.11504 | 174.1 |
[M-H]- | 317.11854 | 165.1 |
[M+NH4]+ | 336.15964 | 181.2 |
[M+K]+ | 357.08898 | 165.5 |
[M+H-H2O]+ | 301.12308 | 160.2 |
[M+HCOO]- | 363.12402 | 170.3 |
[M+CH3COO]- | 377.13967 | 203.0 |
[M+Na-2H]- | 339.10049 | 162.3 |
[M]+ | 318.12527 | 170.5 |
[M]- | 318.12637 | 170.5 |
Literature stripe
No literature data available for this compound.