CID 88939

3-methylbenzofuran

Structural Information

Molecular Formula
C9H8O
SMILES
CC1=COC2=CC=CC=C12
InChI
InChI=1S/C9H8O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKey
ZRXHLJNBNWVNIM-UHFFFAOYSA-N
Compound name
3-methyl-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3481
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 120.9
[M+Na]+ 155.04673 132.0
[M-H]- 131.05023 127.2
[M+NH4]+ 150.09133 145.1
[M+K]+ 171.02067 130.8
[M+H-H2O]+ 115.05477 116.4
[M+HCOO]- 177.05571 147.1
[M+CH3COO]- 191.07136 137.4
[M+Na-2H]- 153.03218 131.2
[M]+ 132.05696 124.4
[M]- 132.05806 124.4
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