CID 741129

121064-20-8

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]+ 249.172326 157.0
[M+Na]+ 271.154268 167.6
[M-H]- 247.157774 161.5
[M+NH4]+ 266.198873 177.1
[M+K]+ 287.128208 159.6
[M+H-H2O]+ 231.162310 153.5
[M+HCOO]- 293.163251 176.8
[M+CH3COO]- 307.178901 192.5
[M+Na-2H]- 269.139716 164.4
[M]+ 248.16450142 160.8
[M]- 248.16559858 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.