CID 3334922

93965-35-6

Structural Information

Molecular Formula

C₇H₁₇O₇P

SMILES

CCOC(C(COP(=O)(O)O)O)OCC

InChI

InChI=1S/C7H17O7P/c1-3-12-7(13-4-2)6(8)5-14-15(9,10)11/h6-8H,3-5H2,1-2H3,(H2,9,10,11)

InChIKey

WUTWKLGSMFCXAH-UHFFFAOYSA-N

Compound name

(3,3-diethoxy-2-hydroxypropyl) dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 244.07118 Da
Monoisotopic Mass: -1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.07846	154.5
[M+Na]+	267.06040	159.1
[M-H]-	243.06390	149.1
[M+NH4]+	262.10500	170.0
[M+K]+	283.03434	160.2
[M+H-H2O]+	227.06844	147.4
[M+HCOO]-	289.06938	176.7
[M+CH3COO]-	303.08503	185.1
[M+Na-2H]-	265.04585	154.9
[M]+	244.07063	159.6
[M]-	244.07173	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe