CID 36414

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

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CNCC2=C1C=CC3=C2OCO3
InChI
InChI=1S/C10H11NO2/c1-2-9-10(13-6-12-9)8-5-11-4-3-7(1)8/h1-2,11H,3-6H2
InChIKey
HQVFWMFRDZKLPB-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

177.07898 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 135.6
[M+Na]+ 200.06820 148.0
[M+NH4]+ 195.11280 145.3
[M+K]+ 216.04214 144.0
[M-H]- 176.07170 140.2
[M+Na-2H]- 198.05365 139.2
[M]+ 177.07843 138.6
[M]- 177.07953 138.6
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