CID 13202256

6-(methylsulfanyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C10H13NS
SMILES
CSC1=CC2=C(CNCC2)C=C1
InChI
InChI=1S/C10H13NS/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-3,6,11H,4-5,7H2,1H3
InChIKey
WJQBGWFWCGJQHK-UHFFFAOYSA-N
Compound name
6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

179.07687 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08415 135.2
[M+Na]+ 202.06609 142.5
[M-H]- 178.06959 136.6
[M+NH4]+ 197.11069 155.1
[M+K]+ 218.04003 138.2
[M+H-H2O]+ 162.07413 129.3
[M+HCOO]- 224.07507 148.6
[M+CH3COO]- 238.09072 147.3
[M+Na-2H]- 200.05154 140.0
[M]+ 179.07632 132.8
[M]- 179.07742 132.8
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