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

2
Patents

215.02686 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.034136 142.4
[M+Na]+ 238.016078 152.3
[M-H]- 214.019584 143.3
[M+NH4]+ 233.060683 161.9
[M+K]+ 253.990018 145.7
[M+H-H2O]+ 198.024120 137.8
[M+HCOO]- 260.025061 151.1
[M+CH3COO]- 274.040711 154.4
[M+Na-2H]- 236.001526 147.4
[M]+ 215.02631142 141.4
[M]- 215.02740858 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