CID 97951

2,4-monofurfurylidenesorbitol

Structural Information

Molecular Formula
C11H16O7
SMILES
C1=COC(=C1)C2OC(C(C(O2)C(CO)O)O)CO
InChI
InChI=1S/C11H16O7/c12-4-6(14)10-9(15)8(5-13)17-11(18-10)7-2-1-3-16-7/h1-3,6,8-15H,4-5H2
InChIKey
YZNXOCVTNIERFC-UHFFFAOYSA-N
Compound name
1-[2-(furan-2-yl)-5-hydroxy-6-(hydroxymethyl)-1,3-dioxan-4-yl]ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

16
Patents

260.0896 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09688 156.4
[M+Na]+ 283.07882 161.3
[M-H]- 259.08232 159.6
[M+NH4]+ 278.12342 167.9
[M+K]+ 299.05276 162.4
[M+H-H2O]+ 243.08686 151.1
[M+HCOO]- 305.08780 169.6
[M+CH3COO]- 319.10345 185.0
[M+Na-2H]- 281.06427 158.5
[M]+ 260.08905 156.2
[M]- 260.09015 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe