CID 105820

2-hydroxyethyl methyl hydrogen phosphate

Structural Information

Molecular Formula
C3H9O5P
SMILES
COP(=O)(O)OCCO
InChI
InChI=1S/C3H9O5P/c1-7-9(5,6)8-3-2-4/h4H,2-3H2,1H3,(H,5,6)
InChIKey
WHRQRNQSZWMIMU-UHFFFAOYSA-N
Compound name
2-hydroxyethyl methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

156.01875 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.02603 129.8
[M+Na]+ 179.00797 137.4
[M+NH4]+ 174.05257 135.0
[M+K]+ 194.98191 135.6
[M-H]- 155.01147 125.5
[M+Na-2H]- 176.99342 130.9
[M]+ 156.01820 129.1
[M]- 156.01930 129.1
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

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