CID 179606

7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C11H15NO2
SMILES
COC1=C(C2=C(CCNC2)C=C1)OC
InChI
InChI=1S/C11H15NO2/c1-13-10-4-3-8-5-6-12-7-9(8)11(10)14-2/h3-4,12H,5-7H2,1-2H3
InChIKey
MDRWFICNTMXXQK-UHFFFAOYSA-N
Compound name
7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

193.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 141.4
[M+Na]+ 216.09950 148.7
[M-H]- 192.10300 143.0
[M+NH4]+ 211.14410 160.2
[M+K]+ 232.07344 146.0
[M+H-H2O]+ 176.10754 134.8
[M+HCOO]- 238.10848 160.0
[M+CH3COO]- 252.12413 181.8
[M+Na-2H]- 214.08495 148.0
[M]+ 193.10973 140.3
[M]- 193.11083 140.3
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

patents stripe