CID 566849
3-hexylthiophene
Structural Information
- Molecular Formula
- C10H16S
- SMILES
- CCCCCCC1=CSC=C1
- InChI
- InChI=1S/C10H16S/c1-2-3-4-5-6-10-7-8-11-9-10/h7-9H,2-6H2,1H3
- InChIKey
- JEDHEMYZURJGRQ-UHFFFAOYSA-N
- Compound name
- 3-hexylthiophene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 169.10455 | 137.8 |
[M+Na]+ | 191.08649 | 145.4 |
[M-H]- | 167.08999 | 141.4 |
[M+NH4]+ | 186.13109 | 161.0 |
[M+K]+ | 207.06043 | 142.8 |
[M+H-H2O]+ | 151.09453 | 132.4 |
[M+HCOO]- | 213.09547 | 157.5 |
[M+CH3COO]- | 227.11112 | 178.7 |
[M+Na-2H]- | 189.07194 | 139.5 |
[M]+ | 168.09672 | 141.2 |
[M]- | 168.09782 | 141.2 |