CID 35808

N-ethyl-benzimidazole-3-ethylamine dioxalate

Structural Information

Molecular Formula
C11H16N3
SMILES
CCNCC[N+]1=CNC2=CC=CC=C21
InChI
InChI=1S/C11H15N3/c1-2-12-7-8-14-9-13-10-5-3-4-6-11(10)14/h3-6,9,12H,2,7-8H2,1H3/p+1
InChIKey
DPMIMDPCWORIMS-UHFFFAOYSA-O
Compound name
2-(3H-benzimidazol-1-ium-1-yl)-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.13443 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14171 138.4
[M+Na]+ 213.12365 153.1
[M+NH4]+ 208.16825 148.0
[M+K]+ 229.09759 148.1
[M-H]- 189.12715 142.0
[M+Na-2H]- 211.10910 146.3
[M]+ 190.13388 141.8
[M]- 190.13498 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.