CID 7231
2-(morpholinodithio)benzothiazole
Structural Information
- Molecular Formula
- C11H12N2OS3
- SMILES
- C1COCCN1SSC2=NC3=CC=CC=C3S2
- InChI
- InChI=1S/C11H12N2OS3/c1-2-4-10-9(3-1)12-11(15-10)16-17-13-5-7-14-8-6-13/h1-4H,5-8H2
- InChIKey
- QRYFCNPYGUORTK-UHFFFAOYSA-N
- Compound name
- 4-(1,3-benzothiazol-2-yldisulfanyl)morpholine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 285.01845 | 152.8 |
[M+Na]+ | 307.00039 | 163.3 |
[M-H]- | 283.00389 | 157.7 |
[M+NH4]+ | 302.04499 | 168.8 |
[M+K]+ | 322.97433 | 158.2 |
[M+H-H2O]+ | 267.00843 | 147.8 |
[M+HCOO]- | 329.00937 | 158.1 |
[M+CH3COO]- | 343.02502 | 164.1 |
[M+Na-2H]- | 304.98584 | 155.0 |
[M]+ | 284.01062 | 154.4 |
[M]- | 284.01172 | 154.4 |