CID 46724

In 321

Structural Information

Molecular Formula
C17H30N2
SMILES
CC1C2=CC=CC=C2CC[N+]1(C)CCC[N+](C)(C)C
InChI
InChI=1S/C17H30N2/c1-15-17-10-7-6-9-16(17)11-14-19(15,5)13-8-12-18(2,3)4/h6-7,9-10,15H,8,11-14H2,1-5H3/q+2
InChIKey
NQIJKTGESNTUBW-UHFFFAOYSA-N
Compound name
3-(1,2-dimethyl-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 161.5
[M+Na]+ 285.23012 167.2
[M-H]- 261.23362 165.7
[M+NH4]+ 280.27472 180.5
[M+K]+ 301.20406 153.3
[M+H-H2O]+ 245.23816 160.1
[M+HCOO]- 307.23910 178.9
[M+CH3COO]- 321.25475 193.6
[M+Na-2H]- 283.21557 172.5
[M]+ 262.24035 159.0
[M]- 262.24145 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.