CID 7361

Furfuryl alcohol

Structural Information

Molecular Formula
C5H6O2
SMILES
C1=COC(=C1)CO
InChI
InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
InChIKey
XPFVYQJUAUNWIW-UHFFFAOYSA-N
Compound name
furan-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

283
References

71665
Patents

98.03678 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.044056 114.2
[M+Na]+ 121.02600 122.8
[M-H]- 97.029504 117.5
[M+NH4]+ 116.07060 137.3
[M+K]+ 136.99994 123.2
[M+H-H2O]+ 81.034040 109.9
[M+HCOO]- 143.03498 138.8
[M+CH3COO]- 157.05063 160.6
[M+Na-2H]- 119.01145 122.9
[M]+ 98.036231 114.9
[M]- 98.037329 114.9
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.