CID 198387
1,3-propanediol, 2-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1)
Structural Information
- Molecular Formula
- C8H15O4P
- SMILES
- CCCCC12COP(=O)(OC1)OC2
- InChI
- InChI=1S/C8H15O4P/c1-2-3-4-8-5-10-13(9,11-6-8)12-7-8/h2-7H2,1H3
- InChIKey
- GARDUIWQZKWWMM-UHFFFAOYSA-N
- Compound name
- 4-butyl-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 207.07808 | 144.2 |
[M+Na]+ | 229.06002 | 149.9 |
[M-H]- | 205.06352 | 142.0 |
[M+NH4]+ | 224.10462 | 167.7 |
[M+K]+ | 245.03396 | 152.5 |
[M+H-H2O]+ | 189.06806 | 137.0 |
[M+HCOO]- | 251.06900 | 159.5 |
[M+CH3COO]- | 265.08465 | 187.8 |
[M+Na-2H]- | 227.04547 | 156.9 |
[M]+ | 206.07025 | 151.2 |
[M]- | 206.07135 | 151.2 |
Literature stripe
No literature data available for this compound.