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 164.1
[M+Na]+ 281.19882 170.0
[M-H]- 257.20232 168.4
[M+NH4]+ 276.24342 180.8
[M+K]+ 297.17276 155.6
[M+H-H2O]+ 241.20686 161.7
[M+HCOO]- 303.20780 184.4
[M+CH3COO]- 317.22345 192.4
[M+Na-2H]- 279.18427 176.4
[M]+ 258.20905 164.3
[M]- 258.21015 164.3
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.