CID 78598

5-methoxybenzimidazole

Structural Information

Molecular Formula
C8H8N2O
SMILES
COC1=CC2=C(C=C1)N=CN2
InChI
InChI=1S/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
InChIKey
ILMHAGCURJPNRZ-UHFFFAOYSA-N
Compound name
6-methoxy-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

925
Patents

148.06366 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 127.2
[M+Na]+ 171.05288 141.2
[M+NH4]+ 166.09748 136.1
[M+K]+ 187.02682 136.4
[M-H]- 147.05638 128.3
[M+Na-2H]- 169.03833 134.5
[M]+ 148.06311 129.4
[M]- 148.06421 129.4
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