CID 840445

1-methyl-1h-benzo[d]imidazol-5-ol

Structural Information

Molecular Formula
C8H8N2O
SMILES
CN1C=NC2=C1C=CC(=C2)O
InChI
InChI=1S/C8H8N2O/c1-10-5-9-7-4-6(11)2-3-8(7)10/h2-5,11H,1H3
InChIKey
NDDDURSMVVKBTL-UHFFFAOYSA-N
Compound name
1-methylbenzimidazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

136
Patents

148.06366 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 126.6
[M+Na]+ 171.052878 138.4
[M-H]- 147.056384 128.4
[M+NH4]+ 166.097483 148.1
[M+K]+ 187.026818 135.3
[M+H-H2O]+ 131.060920 120.4
[M+HCOO]- 193.061861 149.8
[M+CH3COO]- 207.077511 141.4
[M+Na-2H]- 169.038326 135.1
[M]+ 148.06311142 128.6
[M]- 148.06420858 128.6
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