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

13
Patents

148.05243 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05971 124.5
[M+Na]+ 171.04165 136.0
[M-H]- 147.04515 129.8
[M+NH4]+ 166.08625 147.6
[M+K]+ 187.01559 134.4
[M+H-H2O]+ 131.04969 120.3
[M+HCOO]- 193.05063 149.4
[M+CH3COO]- 207.06628 172.1
[M+Na-2H]- 169.02710 133.7
[M]+ 148.05188 128.0
[M]- 148.05298 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