CID 20363

4353-42-8

Structural Information

Molecular Formula
C15H22N2
SMILES
C[N+](C)(C)CCC[N+]1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C15H22N2/c1-17(2,3)12-6-10-16-11-9-14-7-4-5-8-15(14)13-16/h4-5,7-9,11,13H,6,10,12H2,1-3H3/q+2
InChIKey
BIVPHTMRJMWIDP-UHFFFAOYSA-N
Compound name
3-isoquinolin-2-ium-2-ylpropyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1783 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.18558 154.4
[M+Na]+ 253.16752 161.2
[M-H]- 229.17102 159.1
[M+NH4]+ 248.21212 172.3
[M+K]+ 269.14146 147.3
[M+H-H2O]+ 213.17556 152.5
[M+HCOO]- 275.17650 175.4
[M+CH3COO]- 289.19215 186.4
[M+Na-2H]- 251.15297 167.9
[M]+ 230.17775 153.9
[M]- 230.17885 153.9
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.