CID 118759

Einecs 252-311-8

Structural Information

Molecular Formula
C6H16O10P2
SMILES
C(COP(=O)(O)OCCOP(=O)(O)OCCO)O
InChI
InChI=1S/C6H16O10P2/c7-1-3-13-17(9,10)15-5-6-16-18(11,12)14-4-2-8/h7-8H,1-6H2,(H,9,10)(H,11,12)
InChIKey
VZTUNSKRPZVUGG-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

310.02188 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.02916 168.9
[M+Na]+ 333.01110 169.0
[M-H]- 309.01460 166.4
[M+NH4]+ 328.05570 167.4
[M+K]+ 348.98504 158.0
[M+H-H2O]+ 293.01914 155.2
[M+HCOO]- 355.02008 186.4
[M+CH3COO]- 369.03573 192.0
[M+Na-2H]- 330.99655 168.0
[M]+ 310.02133 165.3
[M]- 310.02243 165.3
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

patents stripe