CID 3041202
Brn 0397712
Structural Information
- Molecular Formula
- C9H9N3OS
- SMILES
- CN(C)C(=S)OC1=C(N=CC=C1)C#N
- InChI
- InChI=1S/C9H9N3OS/c1-12(2)9(14)13-8-4-3-5-11-7(8)6-10/h3-5H,1-2H3
- InChIKey
- VXHOMMNKYLLAAB-UHFFFAOYSA-N
- Compound name
- O-(2-cyanopyridin-3-yl) N,N-dimethylcarbamothioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 208.05391 | 147.6 |
[M+Na]+ | 230.03585 | 157.2 |
[M-H]- | 206.03935 | 151.4 |
[M+NH4]+ | 225.08045 | 164.3 |
[M+K]+ | 246.00979 | 155.7 |
[M+H-H2O]+ | 190.04389 | 133.9 |
[M+HCOO]- | 252.04483 | 162.8 |
[M+CH3COO]- | 266.06048 | 200.5 |
[M+Na-2H]- | 228.02130 | 150.0 |
[M]+ | 207.04608 | 145.4 |
[M]- | 207.04718 | 145.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.