CID 46718

In 275

Structural Information

Molecular Formula
C16H24N2
SMILES
CC1=CC2=CC=CC=C2C=[N+]1CCC[N+](C)(C)C
InChI
InChI=1S/C16H24N2/c1-14-12-15-8-5-6-9-16(15)13-17(14)10-7-11-18(2,3)4/h5-6,8-9,12-13H,7,10-11H2,1-4H3/q+2
InChIKey
RRVLZSDHQXYQQF-UHFFFAOYSA-N
Compound name
trimethyl-[3-(3-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]+ 245.20123 158.8
[M+Na]+ 267.18317 166.0
[M-H]- 243.18667 163.6
[M+NH4]+ 262.22777 176.4
[M+K]+ 283.15711 151.9
[M+H-H2O]+ 227.19121 156.9
[M+HCOO]- 289.19215 179.4
[M+CH3COO]- 303.20780 190.4
[M+Na-2H]- 265.16862 171.1
[M]+ 244.19340 159.0
[M]- 244.19450 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.