CID 46726

In 292

Structural Information

Molecular Formula
C17H30N2
SMILES
CC[N+]1(CCC2=CC=CC=C2C1)CCC[N+](C)(C)C
InChI
InChI=1S/C17H30N2/c1-5-19(13-8-12-18(2,3)4)14-11-16-9-6-7-10-17(16)15-19/h6-7,9-10H,5,8,11-15H2,1-4H3/q+2
InChIKey
HLBHDRVLVBGMLL-UHFFFAOYSA-N
Compound name
3-(2-ethyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.2409 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.24818 162.5
[M+Na]+ 285.23012 167.2
[M-H]- 261.23362 166.3
[M+NH4]+ 280.27472 181.1
[M+K]+ 301.20406 153.4
[M+H-H2O]+ 245.23816 160.8
[M+HCOO]- 307.23910 179.9
[M+CH3COO]- 321.25475 192.6
[M+Na-2H]- 283.21557 174.0
[M]+ 262.24035 159.6
[M]- 262.24145 159.6
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.