CID 20263

2-methylbenzofuran

Structural Information

Molecular Formula
C9H8O
SMILES
CC1=CC2=CC=CC=C2O1
InChI
InChI=1S/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3
InChIKey
GBGPVUAOTCNZPT-UHFFFAOYSA-N
Compound name
2-methyl-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

4435
Patents

132.05751 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06479 121.3
[M+Na]+ 155.04673 136.6
[M+NH4]+ 150.09133 132.0
[M+K]+ 171.02067 131.1
[M-H]- 131.05023 126.1
[M+Na-2H]- 153.03218 129.6
[M]+ 132.05696 125.0
[M]- 132.05806 125.0
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