CID 35814

Benzimidazole-3-ethylamine, n-isopentyl-, sesquioxalate

Structural Information

Molecular Formula
C14H22N3
SMILES
CC(C)CCNCC[N+]1=CNC2=CC=CC=C21
InChI
InChI=1S/C14H21N3/c1-12(2)7-8-15-9-10-17-11-16-13-5-3-4-6-14(13)17/h3-6,11-12,15H,7-10H2,1-2H3/p+1
InChIKey
CBOXTSHFOPDTAW-UHFFFAOYSA-O
Compound name
N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.18137 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.18865 152.4
[M+Na]+ 255.17059 166.1
[M+NH4]+ 250.21519 161.4
[M+K]+ 271.14453 161.2
[M-H]- 231.17409 155.7
[M+Na-2H]- 253.15604 159.1
[M]+ 232.18082 155.5
[M]- 232.18192 155.5
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.