CID 14892896

Tris(2-hydroxyethyl) phosphate

Structural Information

Molecular Formula
C6H15O7P
SMILES
C(COP(=O)(OCCO)OCCO)O
InChI
InChI=1S/C6H15O7P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h7-9H,1-6H2
InChIKey
MGEISCKTUGVOHN-UHFFFAOYSA-N
Compound name
tris(2-hydroxyethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

627
Patents

230.05554 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06282 149.5
[M+Na]+ 253.04476 154.9
[M-H]- 229.04826 144.1
[M+NH4]+ 248.08936 165.6
[M+K]+ 269.01870 155.1
[M+H-H2O]+ 213.05280 142.3
[M+HCOO]- 275.05374 173.9
[M+CH3COO]- 289.06939 180.4
[M+Na-2H]- 251.03021 152.8
[M]+ 230.05499 155.5
[M]- 230.05609 155.5
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