CID 2795179

1-benzofuran-5-ylmethanol

Structural Information

Molecular Formula
C9H8O2
SMILES
C1=CC2=C(C=CO2)C=C1CO
InChI
InChI=1S/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,10H,6H2
InChIKey
XSLXZYDPOMAXTM-UHFFFAOYSA-N
Compound name
1-benzofuran-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

148.05243 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05971 125.3
[M+Na]+ 171.04165 139.5
[M+NH4]+ 166.08625 135.1
[M+K]+ 187.01559 134.9
[M-H]- 147.04515 129.1
[M+Na-2H]- 169.02710 132.5
[M]+ 148.05188 128.5
[M]- 148.05298 128.5
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

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