CID 131752479

Refchem:975093

Structural Information

Molecular Formula

C₁₅H₂₆O₁₃

SMILES

C1C(C(C(C(O1)OCC2C(C(C(O2)OCC3C(C(C(O3)O)O)O)O)O)O)O)O

InChI

InChI=1S/C15H26O13/c16-4-1-24-14(11(21)7(4)17)25-3-6-9(19)12(22)15(28-6)26-2-5-8(18)10(20)13(23)27-5/h4-23H,1-3H2

InChIKey

ILEPOIYJHJQWCK-UHFFFAOYSA-N

Compound name

2-[[3,4-dihydroxy-5-[(3,4,5-trihydroxyoxolan-2-yl)methoxy]oxolan-2-yl]methoxy]oxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 414.13733 Da
Monoisotopic Mass: -5.6
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]+	415.144606	186.2
[M+Na]+	437.126548	187.7
[M-H]-	413.130054	187.6
[M+NH4]+	432.171153	190.5
[M+K]+	453.100488	189.9
[M+H-H2O]+	397.134590	182.3
[M+HCOO]-	459.135531	189.8
[M+CH3COO]-	473.151181	211.8
[M+Na-2H]-	435.111996	181.3
[M]+	414.13678142	185.5
[M]-	414.13787858	185.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.