CID 95890

1-methylbenzimidazole

Structural Information

Molecular Formula
C8H8N2
SMILES
CN1C=NC2=CC=CC=C21
InChI
InChI=1S/C8H8N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-6H,1H3
InChIKey
FGYADSCZTQOAFK-UHFFFAOYSA-N
Compound name
1-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

28
References

10724
Patents

132.06874 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.076016 122.7
[M+Na]+ 155.057958 134.1
[M-H]- 131.061464 125.4
[M+NH4]+ 150.102563 145.3
[M+K]+ 171.031898 131.4
[M+H-H2O]+ 115.066000 116.1
[M+HCOO]- 177.066941 147.2
[M+CH3COO]- 191.082591 138.0
[M+Na-2H]- 153.043406 132.4
[M]+ 132.06819142 124.7
[M]- 132.06928858 124.7
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