CID 45551

N-methyl-7,8-methylenedioxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C11H13NO2
SMILES
CN1CCC2=C(C1)C3=C(C=C2)OCO3
InChI
InChI=1S/C11H13NO2/c1-12-5-4-8-2-3-10-11(9(8)6-12)14-7-13-10/h2-3H,4-7H2,1H3
InChIKey
BBRMZIGZCVMPPB-UHFFFAOYSA-N
Compound name
8-methyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 139.4
[M+Na]+ 214.08386 152.6
[M+NH4]+ 209.12846 149.3
[M+K]+ 230.05780 148.2
[M-H]- 190.08736 144.5
[M+Na-2H]- 212.06931 143.1
[M]+ 191.09409 142.8
[M]- 191.09519 142.8
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

No patent data available for this compound.