CID 46736

In 251

Structural Information

Molecular Formula
C17H26N2
SMILES
C[N+](C)(C)CCCCC[N+]1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C17H26N2/c1-19(2,3)14-8-4-7-12-18-13-11-16-9-5-6-10-17(16)15-18/h5-6,9-11,13,15H,4,7-8,12,14H2,1-3H3/q+2
InChIKey
UIXGRZWIXOWYCT-UHFFFAOYSA-N
Compound name
5-isoquinolin-2-ium-2-ylpentyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.2096 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.21688 160.0
[M+Na]+ 281.19882 177.7
[M+NH4]+ 276.24342 171.6
[M+K]+ 297.17276 169.8
[M-H]- 257.20232 167.4
[M+Na-2H]- 279.18427 170.1
[M]+ 258.20905 165.7
[M]- 258.21015 165.7
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.