CID 3048513
Tl 383
Structural Information
- Molecular Formula
- C7H11N3S2
- SMILES
- CN(CCSC#N)CCSC#N
- InChI
- InChI=1S/C7H11N3S2/c1-10(2-4-11-6-8)3-5-12-7-9/h2-5H2,1H3
- InChIKey
- GUVRZNZIUUSTKK-UHFFFAOYSA-N
- Compound name
- 2-[methyl(2-thiocyanatoethyl)amino]ethyl thiocyanate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 202.04672 | 156.2 |
[M+Na]+ | 224.02866 | 164.7 |
[M-H]- | 200.03216 | 160.6 |
[M+NH4]+ | 219.07326 | 170.0 |
[M+K]+ | 240.00260 | 164.8 |
[M+H-H2O]+ | 184.03670 | 141.6 |
[M+HCOO]- | 246.03764 | 162.0 |
[M+CH3COO]- | 260.05329 | 219.4 |
[M+Na-2H]- | 222.01411 | 155.8 |
[M]+ | 201.03889 | 151.9 |
[M]- | 201.03999 | 151.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.