CID 15807

2-ethylbenzimidazole

Structural Information

Molecular Formula
C9H10N2
SMILES
CCC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)
InChIKey
QHCCOYAKYCWDOJ-UHFFFAOYSA-N
Compound name
2-ethyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

2563
Patents

146.0844 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 128.0
[M+Na]+ 169.07362 138.6
[M-H]- 145.07712 129.2
[M+NH4]+ 164.11822 149.4
[M+K]+ 185.04756 134.7
[M+H-H2O]+ 129.08166 121.5
[M+HCOO]- 191.08260 150.7
[M+CH3COO]- 205.09825 142.2
[M+Na-2H]- 167.05907 136.7
[M]+ 146.08385 128.6
[M]- 146.08495 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