CID 60241

Dtxsid30910688

Structural Information

Molecular Formula
C9H17O5P
SMILES
CC(=O)OP1(=O)C(CC(CO1)(C)C)(C)O
InChI
InChI=1S/C9H17O5P/c1-7(10)14-15(12)9(4,11)5-8(2,3)6-13-15/h11H,5-6H2,1-4H3
InChIKey
JNPFXCVABAZXKF-UHFFFAOYSA-N
Compound name
(3-hydroxy-3,5,5-trimethyl-2-oxo-1,2lambda5-oxaphosphinan-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.08136 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.088636 144.8
[M+Na]+ 259.070578 153.1
[M-H]- 235.074084 147.2
[M+NH4]+ 254.115183 167.4
[M+K]+ 275.044518 154.8
[M+H-H2O]+ 219.078620 140.5
[M+HCOO]- 281.079561 168.2
[M+CH3COO]- 295.095211 187.3
[M+Na-2H]- 257.056026 149.6
[M]+ 236.08081142 148.2
[M]- 236.08190858 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.