CID 601221

5,6-dimethoxybenzimidazole

Structural Information

Molecular Formula
C9H10N2O2
SMILES
COC1=C(C=C2C(=C1)NC=N2)OC
InChI
InChI=1S/C9H10N2O2/c1-12-8-3-6-7(11-5-10-6)4-9(8)13-2/h3-5H,1-2H3,(H,10,11)
InChIKey
BTWUUHKQHOSMIN-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

359
Patents

178.07423 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 134.3
[M+Na]+ 201.063448 145.6
[M-H]- 177.066954 135.9
[M+NH4]+ 196.108053 154.5
[M+K]+ 217.037388 142.7
[M+H-H2O]+ 161.071490 127.7
[M+HCOO]- 223.072431 157.4
[M+CH3COO]- 237.088081 177.6
[M+Na-2H]- 199.048896 142.3
[M]+ 178.07368142 138.1
[M]- 178.07477858 138.1
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