CID 62373257

6,8-dichloro-1-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C10H11Cl2N
SMILES
CC1C2=C(CCN1)C=C(C=C2Cl)Cl
InChI
InChI=1S/C10H11Cl2N/c1-6-10-7(2-3-13-6)4-8(11)5-9(10)12/h4-6,13H,2-3H2,1H3
InChIKey
OWBHUFMBYQFPDF-UHFFFAOYSA-N
Compound name
6,8-dichloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

215.02686 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03414 142.4
[M+Na]+ 238.01608 152.3
[M-H]- 214.01958 143.3
[M+NH4]+ 233.06068 161.9
[M+K]+ 253.99002 145.7
[M+H-H2O]+ 198.02412 137.8
[M+HCOO]- 260.02506 151.1
[M+CH3COO]- 274.04071 154.4
[M+Na-2H]- 236.00153 147.4
[M]+ 215.02631 141.4
[M]- 215.02741 141.4
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