CID 42684

5,6,7,8-tetrahydro-7-methyl-1,3-dioxolo(4,5-g)isoquinoline hydrochloride

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1CC2=CC3=C(C=C2CN1)OCO3
InChI
InChI=1S/C11H13NO2/c1-7-2-8-3-10-11(14-6-13-10)4-9(8)5-12-7/h3-4,7,12H,2,5-6H2,1H3
InChIKey
BGKYNZFHWPNVJF-UHFFFAOYSA-N
Compound name
7-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
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 138.8
[M+Na]+ 214.08386 146.7
[M-H]- 190.08736 142.5
[M+NH4]+ 209.12846 157.7
[M+K]+ 230.05780 145.3
[M+H-H2O]+ 174.09190 133.0
[M+HCOO]- 236.09284 154.6
[M+CH3COO]- 250.10849 151.5
[M+Na-2H]- 212.06931 145.9
[M]+ 191.09409 137.0
[M]- 191.09519 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe