CID 46842526
Arctinol b
Structural Information
- Molecular Formula
- C13H12O2S2
- SMILES
- CC#CC1=CC=C(S1)C2=CC=C(S2)C(CO)O
- InChI
- InChI=1S/C13H12O2S2/c1-2-3-9-4-5-12(16-9)13-7-6-11(17-13)10(15)8-14/h4-7,10,14-15H,8H2,1H3
- InChIKey
- RVVLUQPXASICPK-UHFFFAOYSA-N
- Compound name
- 1-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethane-1,2-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 265.03514 | 172.2 |
[M+Na]+ | 287.01708 | 185.1 |
[M-H]- | 263.02058 | 176.6 |
[M+NH4]+ | 282.06168 | 190.5 |
[M+K]+ | 302.99102 | 178.5 |
[M+H-H2O]+ | 247.02512 | 161.7 |
[M+HCOO]- | 309.02606 | 180.8 |
[M+CH3COO]- | 323.04171 | 182.7 |
[M+Na-2H]- | 285.00253 | 167.6 |
[M]+ | 264.02731 | 170.9 |
[M]- | 264.02841 | 170.9 |