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
3
Annotation Hits

11
References

3024
Patents

142.00311 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.010386 127.4
[M+Na]+ 164.992328 135.0
[M-H]- 140.995834 122.9
[M+NH4]+ 160.036933 147.3
[M+K]+ 180.966268 134.9
[M+H-H2O]+ 125.000370 121.6
[M+HCOO]- 187.001311 152.8
[M+CH3COO]- 201.016961 163.8
[M+Na-2H]- 162.977776 132.2
[M]+ 142.00256142 129.0
[M]- 142.00365858 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

literature stripe

Patent stripe

patents stripe