CID 4327139
19759-66-1
Structural Information
- Molecular Formula
- C8H5N3S
- SMILES
- C1=CC2=C(C=C1C#N)SC(=N2)N
- InChI
- InChI=1S/C8H5N3S/c9-4-5-1-2-6-7(3-5)12-8(10)11-6/h1-3H,(H2,10,11)
- InChIKey
- GDFCZZHSWGWCHP-UHFFFAOYSA-N
- Compound name
- 2-amino-1,3-benzothiazole-6-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 176.02770 | 132.6 |
[M+Na]+ | 198.00964 | 145.1 |
[M+NH4]+ | 193.05424 | 138.8 |
[M+K]+ | 213.98358 | 135.5 |
[M-H]- | 174.01314 | 128.2 |
[M+Na-2H]- | 195.99509 | 136.8 |
[M]+ | 175.01987 | 132.8 |
[M]- | 175.02097 | 132.8 |