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 155.3
[M+Na]+ 267.18317 173.6
[M+NH4]+ 262.22777 167.1
[M+K]+ 283.15711 166.2
[M-H]- 243.18667 162.9
[M+Na-2H]- 265.16862 165.5
[M]+ 244.19340 161.2
[M]- 244.19450 161.2
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.