CID 6451645

40762-73-0

Structural Information

Molecular Formula

C₁₁H₂₀O₆

SMILES

C1C(O1)COCC(CO)(CO)COCC2CO2

InChI

InChI=1S/C11H20O6/c12-5-11(6-13,7-14-1-9-3-16-9)8-15-2-10-4-17-10/h9-10,12-13H,1-8H2

InChIKey

FGPFIXISGWXSCE-UHFFFAOYSA-N

Compound name

2,2-bis(oxiran-2-ylmethoxymethyl)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 997
Patents: 248.12599 Da
Monoisotopic Mass: -1.9
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]+	249.133266	160.2
[M+Na]+	271.115208	165.9
[M-H]-	247.118714	165.9
[M+NH4]+	266.159813	163.3
[M+K]+	287.089148	166.3
[M+H-H2O]+	231.123250	153.8
[M+HCOO]-	293.124191	174.9
[M+CH3COO]-	307.139841	198.5
[M+Na-2H]-	269.100656	165.5
[M]+	248.12544142	169.7
[M]-	248.12653858	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe