CID 64687418

6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1CC2=C(C=CC(=C2)OC)C(N1)C
InChI
InChI=1S/C12H17NO/c1-8-6-10-7-11(14-3)4-5-12(10)9(2)13-8/h4-5,7-9,13H,6H2,1-3H3
InChIKey
WSGQMOPDSPIBDB-UHFFFAOYSA-N
Compound name
6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

191.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 142.8
[M+Na]+ 214.12023 150.8
[M-H]- 190.12373 144.6
[M+NH4]+ 209.16483 162.1
[M+K]+ 230.09417 147.3
[M+H-H2O]+ 174.12827 136.6
[M+HCOO]- 236.12921 160.8
[M+CH3COO]- 250.14486 183.9
[M+Na-2H]- 212.10568 148.1
[M]+ 191.13046 141.0
[M]- 191.13156 141.0
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

patents stripe