CID 53120
74789-29-0
Structural Information
- Molecular Formula
- C9H19O4PS2
- SMILES
- CC(C)COP(=O)(C)SCSCC(=O)OC
- InChI
- InChI=1S/C9H19O4PS2/c1-8(2)5-13-14(4,11)16-7-15-6-9(10)12-3/h8H,5-7H2,1-4H3
- InChIKey
- SVKYZMHIPXZSSL-UHFFFAOYSA-N
- Compound name
- methyl 2-[[methyl(2-methylpropoxy)phosphoryl]sulfanylmethylsulfanyl]acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 287.05351 | 160.6 |
[M+Na]+ | 309.03545 | 165.3 |
[M-H]- | 285.03895 | 159.0 |
[M+NH4]+ | 304.08005 | 177.2 |
[M+K]+ | 325.00939 | 163.4 |
[M+H-H2O]+ | 269.04349 | 152.1 |
[M+HCOO]- | 331.04443 | 175.7 |
[M+CH3COO]- | 345.06008 | 198.8 |
[M+Na-2H]- | 307.02090 | 156.8 |
[M]+ | 286.04568 | 169.0 |
[M]- | 286.04678 | 169.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.