CID 13361079
Brn 5499572
Structural Information
- Molecular Formula
- C15H34N2S2
- SMILES
- CC(C)CCC(CCC(C)C)(SCCN)SCCN
- InChI
- InChI=1S/C15H34N2S2/c1-13(2)5-7-15(18-11-9-16,19-12-10-17)8-6-14(3)4/h13-14H,5-12,16-17H2,1-4H3
- InChIKey
- AJTKOGMYGFQLHA-UHFFFAOYSA-N
- Compound name
- 2-[5-(2-aminoethylsulfanyl)-2,8-dimethylnonan-5-yl]sulfanylethanamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 307.22362 | 175.4 |
[M+Na]+ | 329.20556 | 176.4 |
[M-H]- | 305.20906 | 172.3 |
[M+NH4]+ | 324.25016 | 189.6 |
[M+K]+ | 345.17950 | 171.4 |
[M+H-H2O]+ | 289.21360 | 168.0 |
[M+HCOO]- | 351.21454 | 181.6 |
[M+CH3COO]- | 365.23019 | 212.6 |
[M+Na-2H]- | 327.19101 | 170.1 |
[M]+ | 306.21579 | 177.0 |
[M]- | 306.21689 | 177.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.