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

3824
Patents

132.05751 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.064786 120.9
[M+Na]+ 155.046728 132.0
[M-H]- 131.050234 127.2
[M+NH4]+ 150.091333 145.1
[M+K]+ 171.020668 130.8
[M+H-H2O]+ 115.054770 116.4
[M+HCOO]- 177.055711 147.1
[M+CH3COO]- 191.071361 137.4
[M+Na-2H]- 153.032176 131.2
[M]+ 132.05696142 124.4
[M]- 132.05805858 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