CID 60241

108331-14-2

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]+ 237.08864 144.8
[M+Na]+ 259.07058 153.1
[M-H]- 235.07408 147.2
[M+NH4]+ 254.11518 167.4
[M+K]+ 275.04452 154.8
[M+H-H2O]+ 219.07862 140.5
[M+HCOO]- 281.07956 168.2
[M+CH3COO]- 295.09521 187.3
[M+Na-2H]- 257.05603 149.6
[M]+ 236.08081 148.2
[M]- 236.08191 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.