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

168
Patents

148.05243 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.059706 124.8
[M+Na]+ 171.041648 135.4
[M-H]- 147.045154 129.7
[M+NH4]+ 166.086253 147.5
[M+K]+ 187.015588 133.7
[M+H-H2O]+ 131.049690 120.3
[M+HCOO]- 193.050631 149.7
[M+CH3COO]- 207.066281 140.5
[M+Na-2H]- 169.027096 134.6
[M]+ 148.05188142 127.9
[M]- 148.05297858 127.9
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