CID 741129

3,4-dihydro-6,7-dimethoxy-1,2,3,3-tetramethylisoquinolinium iodide

Structural Information

Molecular Formula
C15H22NO2
SMILES
CC1=[N+](C(CC2=CC(=C(C=C12)OC)OC)(C)C)C
InChI
InChI=1S/C15H22NO2/c1-10-12-8-14(18-6)13(17-5)7-11(12)9-15(2,3)16(10)4/h7-8H,9H2,1-6H3/q+1
InChIKey
PGABDXKTZMUXMZ-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1,2,3,3-tetramethyl-4H-isoquinolin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.16505 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17233 157.0
[M+Na]+ 271.15427 167.6
[M-H]- 247.15777 161.5
[M+NH4]+ 266.19887 177.1
[M+K]+ 287.12821 159.6
[M+H-H2O]+ 231.16231 153.5
[M+HCOO]- 293.16325 176.8
[M+CH3COO]- 307.17890 192.5
[M+Na-2H]- 269.13972 164.4
[M]+ 248.16450 160.8
[M]- 248.16560 160.8
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.