CID 485094

1-ethyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C9H10N2
SMILES
CCN1C=NC2=CC=CC=C21
InChI
InChI=1S/C9H10N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3-7H,2H2,1H3
InChIKey
WVNMLOGVAVGQIT-UHFFFAOYSA-N
Compound name
1-ethylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1480
Patents

146.0844 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 127.4
[M+Na]+ 169.07362 138.4
[M-H]- 145.07712 130.0
[M+NH4]+ 164.11822 149.5
[M+K]+ 185.04756 135.5
[M+H-H2O]+ 129.08166 120.6
[M+HCOO]- 191.08260 151.6
[M+CH3COO]- 205.09825 142.3
[M+Na-2H]- 167.05907 136.6
[M]+ 146.08385 129.8
[M]- 146.08495 129.8
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