CID 35810

N-propyl-benzimidazole-3-ethylamine dioxalate

Structural Information

Molecular Formula
C12H18N3
SMILES
CCCNCC[N+]1=CNC2=CC=CC=C21
InChI
InChI=1S/C12H17N3/c1-2-7-13-8-9-15-10-14-11-5-3-4-6-12(11)15/h3-6,10,13H,2,7-9H2,1H3/p+1
InChIKey
KMGFCNUNBKPZON-UHFFFAOYSA-O
Compound name
N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.15007 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15735 145.6
[M+Na]+ 227.13929 153.7
[M-H]- 203.14279 146.5
[M+NH4]+ 222.18389 163.9
[M+K]+ 243.11323 143.6
[M+H-H2O]+ 187.14733 140.7
[M+HCOO]- 249.14827 168.0
[M+CH3COO]- 263.16392 179.6
[M+Na-2H]- 225.12474 155.6
[M]+ 204.14952 145.2
[M]- 204.15062 145.2
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.