CID 2850061

3,4-dihydro-6,7-dimethoxy-1,3,3-trimethylisoquinoline hydriodide

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC1=NC(CC2=CC(=C(C=C12)OC)OC)(C)C
InChI
InChI=1S/C14H19NO2/c1-9-11-7-13(17-5)12(16-4)6-10(11)8-14(2,3)15-9/h6-7H,8H2,1-5H3
InChIKey
GHDJZAVHDPGMGK-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1,3,3-trimethyl-4H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 151.8
[M+Na]+ 256.13081 162.1
[M-H]- 232.13431 155.7
[M+NH4]+ 251.17541 172.5
[M+K]+ 272.10475 159.7
[M+H-H2O]+ 216.13885 145.4
[M+HCOO]- 278.13979 172.2
[M+CH3COO]- 292.15544 195.0
[M+Na-2H]- 254.11626 158.0
[M]+ 233.14104 156.1
[M]- 233.14214 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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