CID 480097

1-ethoxy-2,4-dimethylbenzimidazole

Structural Information

Molecular Formula
C11H14N2O
SMILES
CCON1C(=NC2=C(C=CC=C21)C)C
InChI
InChI=1S/C11H14N2O/c1-4-14-13-9(3)12-11-8(2)6-5-7-10(11)13/h5-7H,4H2,1-3H3
InChIKey
DXQBLBGWJFLJAX-UHFFFAOYSA-N
Compound name
1-ethoxy-2,4-dimethylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11061 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 140.0
[M+Na]+ 213.09983 151.9
[M-H]- 189.10333 143.0
[M+NH4]+ 208.14443 160.8
[M+K]+ 229.07377 148.9
[M+H-H2O]+ 173.10787 133.2
[M+HCOO]- 235.10881 163.7
[M+CH3COO]- 249.12446 185.3
[M+Na-2H]- 211.08528 146.5
[M]+ 190.11006 145.3
[M]- 190.11116 145.3
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

No patent data available for this compound.