CID 862405
N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine hydrochloride
Structural Information
- Molecular Formula
- C9H9N3S
- SMILES
- CNC1=NN=C(S1)C2=CC=CC=C2
- InChI
- InChI=1S/C9H9N3S/c1-10-9-12-11-8(13-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,12)
- InChIKey
- KYFFHIGZVFHJIV-UHFFFAOYSA-N
- Compound name
- N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 192.05899 | 137.2 |
[M+Na]+ | 214.04093 | 147.0 |
[M-H]- | 190.04443 | 142.3 |
[M+NH4]+ | 209.08553 | 156.5 |
[M+K]+ | 230.01487 | 143.3 |
[M+H-H2O]+ | 174.04897 | 129.7 |
[M+HCOO]- | 236.04991 | 157.6 |
[M+CH3COO]- | 250.06556 | 150.9 |
[M+Na-2H]- | 212.02638 | 141.9 |
[M]+ | 191.05116 | 138.5 |
[M]- | 191.05226 | 138.5 |