CID 20784895

5-methoxy-6-methylbenzimidazole

Structural Information

Molecular Formula
C9H10N2O
SMILES
CC1=CC2=C(C=C1OC)N=CN2
InChI
InChI=1S/C9H10N2O/c1-6-3-7-8(11-5-10-7)4-9(6)12-2/h3-5H,1-2H3,(H,10,11)
InChIKey
NTRDUQMAJNJZAW-UHFFFAOYSA-N
Compound name
5-methoxy-6-methyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

56
Patents

162.07932 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 131.3
[M+Na]+ 185.068538 142.7
[M-H]- 161.072044 132.9
[M+NH4]+ 180.113143 152.3
[M+K]+ 201.042478 139.3
[M+H-H2O]+ 145.076580 124.9
[M+HCOO]- 207.077521 154.2
[M+CH3COO]- 221.093171 145.7
[M+Na-2H]- 183.053986 139.2
[M]+ 162.07877142 133.6
[M]- 162.07986858 133.6
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