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]+ 231.185576 154.4
[M+Na]+ 253.167518 161.2
[M-H]- 229.171024 159.1
[M+NH4]+ 248.212123 172.3
[M+K]+ 269.141458 147.3
[M+H-H2O]+ 213.175560 152.5
[M+HCOO]- 275.176501 175.4
[M+CH3COO]- 289.192151 186.4
[M+Na-2H]- 251.152966 167.9
[M]+ 230.17775142 153.9
[M]- 230.17884858 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.