CID 44144993

94278-20-3

Structural Information

Molecular Formula
C14H18O4
SMILES
CC(C)C(OCC1=CC=CO1)OCC2=CC=CO2
InChI
InChI=1S/C14H18O4/c1-11(2)14(17-9-12-5-3-7-15-12)18-10-13-6-4-8-16-13/h3-8,11,14H,9-10H2,1-2H3
InChIKey
AAYXEQGKAQUIMA-UHFFFAOYSA-N
Compound name
2-[[1-(furan-2-ylmethoxy)-2-methylpropoxy]methyl]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.12051 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.127786 157.6
[M+Na]+ 273.109728 164.3
[M-H]- 249.113234 165.8
[M+NH4]+ 268.154333 175.2
[M+K]+ 289.083668 165.7
[M+H-H2O]+ 233.117770 151.8
[M+HCOO]- 295.118711 181.8
[M+CH3COO]- 309.134361 191.9
[M+Na-2H]- 271.095176 160.9
[M]+ 250.11996142 165.3
[M]- 250.12105858 165.3
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.