CID 80155

6054-36-0

Structural Information

Molecular Formula
C11H20N2
SMILES
C[N+](C)(C)CCC[N+]1=CC=CC=C1
InChI
InChI=1S/C11H20N2/c1-13(2,3)11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3/q+2
InChIKey
VPIAARVDOCGUCZ-UHFFFAOYSA-N
Compound name
trimethyl(3-pyridin-1-ium-1-ylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.16264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.16992 140.2
[M+Na]+ 203.15186 146.6
[M-H]- 179.15536 144.1
[M+NH4]+ 198.19646 159.0
[M+K]+ 219.12580 134.6
[M+H-H2O]+ 163.15990 139.2
[M+HCOO]- 225.16084 162.8
[M+CH3COO]- 239.17649 176.1
[M+Na-2H]- 201.13731 153.4
[M]+ 180.16209 139.2
[M]- 180.16319 139.2
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.