CID 9609
Diethyl sulfide
Structural Information
- Molecular Formula
- C4H10S
- SMILES
- CCSCC
- InChI
- InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3
- InChIKey
- LJSQFQKUNVCTIA-UHFFFAOYSA-N
- Compound name
- ethylsulfanylethane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 91.057596 | 114.8 |
[M+Na]+ | 113.03954 | 123.0 |
[M-H]- | 89.043044 | 115.8 |
[M+NH4]+ | 108.08414 | 139.4 |
[M+K]+ | 129.01348 | 122.6 |
[M+H-H2O]+ | 73.047580 | 110.8 |
[M+HCOO]- | 135.04852 | 133.8 |
[M+CH3COO]- | 149.06417 | 165.4 |
[M+Na-2H]- | 111.02499 | 119.3 |
[M]+ | 90.049771 | 117.5 |
[M]- | 90.050869 | 117.5 |