CID 2405215
87239-95-0
Structural Information
- Molecular Formula
- C9H10N4S
- SMILES
- CC1=CC=CC=C1C2=NNC(=S)N2N
- InChI
- InChI=1S/C9H10N4S/c1-6-4-2-3-5-7(6)8-11-12-9(14)13(8)10/h2-5H,10H2,1H3,(H,12,14)
- InChIKey
- CUEYNOAJNUCBAP-UHFFFAOYSA-N
- Compound name
- 4-amino-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 207.06990 | 142.9 |
[M+Na]+ | 229.05184 | 154.4 |
[M-H]- | 205.05534 | 145.4 |
[M+NH4]+ | 224.09644 | 159.8 |
[M+K]+ | 245.02578 | 148.3 |
[M+H-H2O]+ | 189.05988 | 135.6 |
[M+HCOO]- | 251.06082 | 159.9 |
[M+CH3COO]- | 265.07647 | 155.5 |
[M+Na-2H]- | 227.03729 | 144.5 |
[M]+ | 206.06207 | 141.9 |
[M]- | 206.06317 | 141.9 |