CID 44153996

94278-19-0

Structural Information

Molecular Formula
C13H16O4
SMILES
CCC(OCC1=CC=CO1)OCC2=CC=CO2
InChI
InChI=1S/C13H16O4/c1-2-13(16-9-11-5-3-7-14-11)17-10-12-6-4-8-15-12/h3-8,13H,2,9-10H2,1H3
InChIKey
PNQZBGJMILYPLO-UHFFFAOYSA-N
Compound name
2-[1-(furan-2-ylmethoxy)propoxymethyl]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10486 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.112136 151.7
[M+Na]+ 259.094078 159.1
[M-H]- 235.097584 159.9
[M+NH4]+ 254.138683 170.0
[M+K]+ 275.068018 160.3
[M+H-H2O]+ 219.102120 146.0
[M+HCOO]- 281.103061 177.3
[M+CH3COO]- 295.118711 188.1
[M+Na-2H]- 257.079526 156.7
[M]+ 236.10431142 159.7
[M]- 236.10540858 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.