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 138.4
[M+Na]+ 214.08386 146.7
[M-H]- 190.08736 143.4
[M+NH4]+ 209.12846 158.0
[M+K]+ 230.05780 146.2
[M+H-H2O]+ 174.09190 132.3
[M+HCOO]- 236.09284 155.7
[M+CH3COO]- 250.10849 151.8
[M+Na-2H]- 212.06931 145.9
[M]+ 191.09409 138.3
[M]- 191.09519 138.3
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.