CID 10856066
41162-15-6
Structural Information
- Molecular Formula
- C6H13O4P
- SMILES
- CCC(=O)CP(=O)(OC)OC
- InChI
- InChI=1S/C6H13O4P/c1-4-6(7)5-11(8,9-2)10-3/h4-5H2,1-3H3
- InChIKey
- ZXNCLYVHPBPHNZ-UHFFFAOYSA-N
- Compound name
- 1-dimethoxyphosphorylbutan-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 181.06243 | 138.5 |
[M+Na]+ | 203.04437 | 146.1 |
[M-H]- | 179.04787 | 138.0 |
[M+NH4]+ | 198.08897 | 159.3 |
[M+K]+ | 219.01831 | 147.2 |
[M+H-H2O]+ | 163.05241 | 132.1 |
[M+HCOO]- | 225.05335 | 166.4 |
[M+CH3COO]- | 239.06900 | 181.4 |
[M+Na-2H]- | 201.02982 | 141.9 |
[M]+ | 180.05460 | 145.0 |
[M]- | 180.05570 | 145.0 |