CID 54244519

5-methyl-1-benzofuran-3-ol

Structural Information

Molecular Formula
C9H8O2
SMILES
CC1=CC2=C(C=C1)OC=C2O
InChI
InChI=1S/C9H8O2/c1-6-2-3-9-7(4-6)8(10)5-11-9/h2-5,10H,1H3
InChIKey
QSHSWEPLQGJFBP-UHFFFAOYSA-N
Compound name
5-methyl-1-benzofuran-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

148.05243 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.059706 124.5
[M+Na]+ 171.041648 136.0
[M-H]- 147.045154 129.8
[M+NH4]+ 166.086253 147.6
[M+K]+ 187.015588 134.4
[M+H-H2O]+ 131.049690 120.3
[M+HCOO]- 193.050631 149.4
[M+CH3COO]- 207.066281 172.1
[M+Na-2H]- 169.027096 133.7
[M]+ 148.05188142 128.0
[M]- 148.05297858 128.0
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

patents stripe