CID 46728

In 298

Structural Information

Molecular Formula
C18H30N2
SMILES
C[N+]1(CCCC1)CCC[N+]2(CCC3=CC=CC=C3C2)C
InChI
InChI=1S/C18H30N2/c1-19(11-5-6-12-19)13-7-14-20(2)15-10-17-8-3-4-9-18(17)16-20/h3-4,8-9H,5-7,10-16H2,1-2H3/q+2
InChIKey
QPNDSURRNVMIST-UHFFFAOYSA-N
Compound name
2-methyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-3,4-dihydro-1H-isoquinolin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2409 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.248176 169.1
[M+Na]+ 297.230118 173.4
[M-H]- 273.233624 172.9
[M+NH4]+ 292.274723 188.3
[M+K]+ 313.204058 158.0
[M+H-H2O]+ 257.238160 165.2
[M+HCOO]- 319.239101 183.1
[M+CH3COO]- 333.254751 186.9
[M+Na-2H]- 295.215566 176.3
[M]+ 274.24035142 161.9
[M]- 274.24144858 161.9
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.