CID 27149

15248-38-1

Structural Information

Molecular Formula
C16H22NO2
SMILES
CCCCC[N+]1=CC2=CC(=C(C=C2C=C1)OC)OC
InChI
InChI=1S/C16H22NO2/c1-4-5-6-8-17-9-7-13-10-15(18-2)16(19-3)11-14(13)12-17/h7,9-12H,4-6,8H2,1-3H3/q+1
InChIKey
ORAVPCMUJRMNBX-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-pentylisoquinolin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.16504 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.17232 163.7
[M+Na]+ 283.15426 172.0
[M-H]- 259.15776 167.1
[M+NH4]+ 278.19886 180.6
[M+K]+ 299.12820 163.1
[M+H-H2O]+ 243.16230 158.6
[M+HCOO]- 305.16324 184.5
[M+CH3COO]- 319.17889 193.3
[M+Na-2H]- 281.13971 171.4
[M]+ 260.16449 168.0
[M]- 260.16559 168.0
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.