CID 46716

64047-58-1

Structural Information

Molecular Formula
C16H24N2
SMILES
CC1=[N+](C=CC2=CC=CC=C12)CCC[N+](C)(C)C
InChI
InChI=1S/C16H24N2/c1-14-16-9-6-5-8-15(16)10-12-17(14)11-7-13-18(2,3)4/h5-6,8-10,12H,7,11,13H2,1-4H3/q+2
InChIKey
QUTBWHQXSHPJFM-UHFFFAOYSA-N
Compound name
trimethyl-[3-(1-methylisoquinolin-2-ium-2-yl)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.19395 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.201226 158.8
[M+Na]+ 267.183168 166.0
[M-H]- 243.186674 163.6
[M+NH4]+ 262.227773 176.4
[M+K]+ 283.157108 151.9
[M+H-H2O]+ 227.191210 156.9
[M+HCOO]- 289.192151 179.4
[M+CH3COO]- 303.207801 190.4
[M+Na-2H]- 265.168616 171.1
[M]+ 244.19340142 159.0
[M]- 244.19449858 159.0
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.