CID 131753073

Refchem:983292

Structural Information

Molecular Formula

C₁₅H₂₆O₁₃

SMILES

C(C1C(C(C(O1)OCC2C(C(C(O2)O)O)OC3C(C(C(O3)CO)O)O)O)O)O

InChI

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

InChIKey

FHLVHZWPBBNFQR-UHFFFAOYSA-N

Compound name

2-[[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 414.13733 Da
Monoisotopic Mass: -4.5
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	184.2
[M+Na]+	437.126548	186.0
[M-H]-	413.130054	186.2
[M+NH4]+	432.171153	190.3
[M+K]+	453.100488	188.2
[M+H-H2O]+	397.134590	182.2
[M+HCOO]-	459.135531	190.0
[M+CH3COO]-	473.151181	211.2
[M+Na-2H]-	435.111996	217.6
[M]+	414.13678142	185.4
[M]-	414.13787858	185.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.