CID 111713

Ns00061064

Structural Information

Molecular Formula
C3H7O5P
SMILES
C1C(COP(=O)(O1)O)O
InChI
InChI=1S/C3H7O5P/c4-3-1-7-9(5,6)8-2-3/h3-4H,1-2H2,(H,5,6)
InChIKey
BBHRCNQUBZYVCA-UHFFFAOYSA-N
Compound name
2-hydroxy-2-oxo-1,3,2lambda5-dioxaphosphinan-5-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

44
Patents

154.00311 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.010386 127.8
[M+Na]+ 176.992328 135.2
[M-H]- 152.995834 129.1
[M+NH4]+ 172.036933 147.2
[M+K]+ 192.966268 137.5
[M+H-H2O]+ 137.000370 121.7
[M+HCOO]- 199.001311 151.4
[M+CH3COO]- 213.016961 166.6
[M+Na-2H]- 174.977776 134.1
[M]+ 154.00256142 127.5
[M]- 154.00365858 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe