CID 231904
N-(2-amino-1,3-benzothiazol-6-yl)acetamide
Structural Information
- Molecular Formula
- C9H9N3OS
- SMILES
- CC(=O)NC1=CC2=C(C=C1)N=C(S2)N
- InChI
- InChI=1S/C9H9N3OS/c1-5(13)11-6-2-3-7-8(4-6)14-9(10)12-7/h2-4H,1H3,(H2,10,12)(H,11,13)
- InChIKey
- BRSUAKMKDAAYJX-UHFFFAOYSA-N
- Compound name
- N-(2-amino-1,3-benzothiazol-6-yl)acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 208.05391 | 140.6 |
[M+Na]+ | 230.03585 | 151.0 |
[M-H]- | 206.03935 | 144.6 |
[M+NH4]+ | 225.08045 | 161.4 |
[M+K]+ | 246.00979 | 147.2 |
[M+H-H2O]+ | 190.04389 | 134.5 |
[M+HCOO]- | 252.04483 | 161.6 |
[M+CH3COO]- | 266.06048 | 187.7 |
[M+Na-2H]- | 228.02130 | 145.0 |
[M]+ | 207.04608 | 142.9 |
[M]- | 207.04718 | 142.9 |