CID 131752480

Refchem:949150

Structural Information

Molecular Formula

C₁₅H₂₆O₁₃

SMILES

C1C(C(C(C(O1)O)O)OC2C(C(C(O2)CO)OC3C(C(C(CO3)O)O)O)O)O

InChI

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

InChIKey

FASIISXZAJLLSP-UHFFFAOYSA-N

Compound name

4-[3-hydroxy-5-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxolan-2-yl]oxyoxane-2,3,5-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	188.8
[M+Na]+	437.126548	189.9
[M-H]-	413.130054	189.7
[M+NH4]+	432.171153	191.2
[M+K]+	453.100488	192.5
[M+H-H2O]+	397.134590	183.0
[M+HCOO]-	459.135531	190.2
[M+CH3COO]-	473.151181	212.8
[M+Na-2H]-	435.111996	184.5
[M]+	414.13678142	186.2
[M]-	414.13787858	186.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.