CID 110058

68334-62-3

Structural Information

Molecular Formula
C6H13O5P
SMILES
CP(=O)(CCC(=O)OCCO)O
InChI
InChI=1S/C6H13O5P/c1-12(9,10)5-2-6(8)11-4-3-7/h7H,2-5H2,1H3,(H,9,10)
InChIKey
NBPZIGIKBFFYOZ-UHFFFAOYSA-N
Compound name
[3-(2-hydroxyethoxy)-3-oxopropyl]-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

196.05006 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05734 143.6
[M+Na]+ 219.03928 150.2
[M-H]- 195.04278 140.0
[M+NH4]+ 214.08388 162.2
[M+K]+ 235.01322 149.9
[M+H-H2O]+ 179.04732 137.2
[M+HCOO]- 241.04826 168.5
[M+CH3COO]- 255.06391 177.6
[M+Na-2H]- 217.02473 145.8
[M]+ 196.04951 147.4
[M]- 196.05061 147.4
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

patents stripe