CID 74689

1,2-ethanediol, 1-(dihydrogen phosphate)

Structural Information

Molecular Formula
C2H7O5P
SMILES
C(COP(=O)(O)O)O
InChI
InChI=1S/C2H7O5P/c3-1-2-7-8(4,5)6/h3H,1-2H2,(H2,4,5,6)
InChIKey
PCIBVZXUNDZWRL-UHFFFAOYSA-N
Compound name
2-hydroxyethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

2989
Patents

142.00311 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.01039 127.4
[M+Na]+ 164.99233 135.0
[M-H]- 140.99583 122.9
[M+NH4]+ 160.03693 147.3
[M+K]+ 180.96627 134.9
[M+H-H2O]+ 125.00037 121.6
[M+HCOO]- 187.00131 152.8
[M+CH3COO]- 201.01696 163.8
[M+Na-2H]- 162.97778 132.2
[M]+ 142.00256 129.0
[M]- 142.00366 129.0
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.