CID 3147256
42517-23-7
Structural Information
- Molecular Formula
- C10H12N2S
- SMILES
- CC(C)C1=NC2=C(S1)C=C(C=C2)N
- InChI
- InChI=1S/C10H12N2S/c1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,11H2,1-2H3
- InChIKey
- HWXYBXYFYWOVAS-UHFFFAOYSA-N
- Compound name
- 2-propan-2-yl-1,3-benzothiazol-6-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 193.07939 | 138.9 |
[M+Na]+ | 215.06133 | 149.7 |
[M-H]- | 191.06483 | 142.9 |
[M+NH4]+ | 210.10593 | 160.9 |
[M+K]+ | 231.03527 | 145.9 |
[M+H-H2O]+ | 175.06937 | 133.3 |
[M+HCOO]- | 237.07031 | 158.2 |
[M+CH3COO]- | 251.08596 | 153.0 |
[M+Na-2H]- | 213.04678 | 142.0 |
[M]+ | 192.07156 | 141.7 |
[M]- | 192.07266 | 141.7 |