CID 719019
302804-66-6
Structural Information
- Molecular Formula
- C10H11N3S
- SMILES
- CC1=CC=C(C=C1)CSC2=NC=NN2
- InChI
- InChI=1S/C10H11N3S/c1-8-2-4-9(5-3-8)6-14-10-11-7-12-13-10/h2-5,7H,6H2,1H3,(H,11,12,13)
- InChIKey
- HOZZBLHTOQAIBU-UHFFFAOYSA-N
- Compound name
- 5-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 206.07465 | 142.5 |
[M+Na]+ | 228.05659 | 152.4 |
[M-H]- | 204.06009 | 144.6 |
[M+NH4]+ | 223.10119 | 159.5 |
[M+K]+ | 244.03053 | 147.5 |
[M+H-H2O]+ | 188.06463 | 134.7 |
[M+HCOO]- | 250.06557 | 158.8 |
[M+CH3COO]- | 264.08122 | 154.9 |
[M+Na-2H]- | 226.04204 | 145.4 |
[M]+ | 205.06682 | 143.5 |
[M]- | 205.06792 | 143.5 |