CID 74663

2,5-furandimethanol

Structural Information

Molecular Formula
C6H8O3
SMILES
C1=C(OC(=C1)CO)CO
InChI
InChI=1S/C6H8O3/c7-3-5-1-2-6(4-8)9-5/h1-2,7-8H,3-4H2
InChIKey
DSLRVRBSNLHVBH-UHFFFAOYSA-N
Compound name
[5-(hydroxymethyl)furan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

3095
Patents

128.04735 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.054626 122.2
[M+Na]+ 151.036568 130.8
[M-H]- 127.040074 124.2
[M+NH4]+ 146.081173 143.6
[M+K]+ 167.010508 130.4
[M+H-H2O]+ 111.044610 117.9
[M+HCOO]- 173.045551 145.2
[M+CH3COO]- 187.061201 164.2
[M+Na-2H]- 149.022016 129.1
[M]+ 128.04680142 123.2
[M]- 128.04789858 123.2
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