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

30
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 133.4
[M+Na]+ 200.06820 140.8
[M-H]- 176.07170 136.9
[M+NH4]+ 195.11280 152.6
[M+K]+ 216.04214 139.7
[M+H-H2O]+ 160.07624 127.5
[M+HCOO]- 222.07718 149.6
[M+CH3COO]- 236.09283 146.2
[M+Na-2H]- 198.05365 141.8
[M]+ 177.07843 130.8
[M]- 177.07953 130.8
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

patents stripe