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 140.9
[M+Na]+ 213.12365 149.4
[M-H]- 189.12715 142.0
[M+NH4]+ 208.16825 159.8
[M+K]+ 229.09759 139.6
[M+H-H2O]+ 173.13169 136.3
[M+HCOO]- 235.13263 163.6
[M+CH3COO]- 249.14828 176.6
[M+Na-2H]- 211.10910 151.5
[M]+ 190.13388 140.2
[M]- 190.13498 140.2
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.