CID 23336572

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

Structural Information

Molecular Formula
C10H13NS
SMILES
CSC1=CC=CC2=C1CNCC2
InChI
InChI=1S/C10H13NS/c1-12-10-4-2-3-8-5-6-11-7-9(8)10/h2-4,11H,5-7H2,1H3
InChIKey
ZYZYBHLNMCJOOZ-UHFFFAOYSA-N
Compound name
8-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

179.07687 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.084146 135.2
[M+Na]+ 202.066088 142.5
[M-H]- 178.069594 136.6
[M+NH4]+ 197.110693 155.1
[M+K]+ 218.040028 138.2
[M+H-H2O]+ 162.074130 129.3
[M+HCOO]- 224.075071 148.6
[M+CH3COO]- 238.090721 147.3
[M+Na-2H]- 200.051536 140.0
[M]+ 179.07632142 132.8
[M]- 179.07741858 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