CID 15623

6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C11H15NO2
SMILES
COC1=C(C=C2CNCCC2=C1)OC
InChI
InChI=1S/C11H15NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-6,12H,3-4,7H2,1-2H3
InChIKey
CEIXWJHURKEBMQ-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

31
References

1715
Patents

193.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 141.4
[M+Na]+ 216.099498 148.7
[M-H]- 192.103004 143.0
[M+NH4]+ 211.144103 160.2
[M+K]+ 232.073438 146.0
[M+H-H2O]+ 176.107540 134.8
[M+HCOO]- 238.108481 160.0
[M+CH3COO]- 252.124131 181.8
[M+Na-2H]- 214.084946 148.0
[M]+ 193.10973142 140.3
[M]- 193.11082858 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