CID 46730

In 243

Structural Information

Molecular Formula
C16H28N2
SMILES
C[N+]1(CCC2=CC=CC=C2C1)CCC[N+](C)(C)C
InChI
InChI=1S/C16H28N2/c1-17(2,3)11-7-12-18(4)13-10-15-8-5-6-9-16(15)14-18/h5-6,8-9H,7,10-14H2,1-4H3/q+2
InChIKey
SVJOFABEMBDECU-UHFFFAOYSA-N
Compound name
trimethyl-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.22525 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.23253 157.4
[M+Na]+ 271.21447 173.8
[M+NH4]+ 266.25907 170.7
[M+K]+ 287.18841 164.7
[M-H]- 247.21797 164.7
[M+Na-2H]- 269.19992 167.7
[M]+ 248.22470 163.0
[M]- 248.22580 163.0
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.