CID 13793775

2-furanmethanol, 5-(ethoxymethyl)-

Structural Information

Molecular Formula
C8H12O3
SMILES
CCOCC1=CC=C(O1)CO
InChI
InChI=1S/C8H12O3/c1-2-10-6-8-4-3-7(5-9)11-8/h3-4,9H,2,5-6H2,1H3
InChIKey
PWKAMVGLPNBYPI-UHFFFAOYSA-N
Compound name
[5-(ethoxymethyl)furan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

156.07864 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 130.9
[M+Na]+ 179.06786 139.1
[M-H]- 155.07136 134.0
[M+NH4]+ 174.11246 151.9
[M+K]+ 195.04180 139.1
[M+H-H2O]+ 139.07590 126.0
[M+HCOO]- 201.07684 154.7
[M+CH3COO]- 215.09249 172.8
[M+Na-2H]- 177.05331 137.2
[M]+ 156.07809 134.5
[M]- 156.07919 134.5
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