CID 27013

5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CNCC2=CC3=C(C=C21)OCO3
InChI
InChI=1S/C10H11NO2/c1-2-11-5-8-4-10-9(3-7(1)8)12-6-13-10/h3-4,11H,1-2,5-6H2
InChIKey
JHLDJOBIUVJSTG-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

367
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

literature stripe

Patent stripe

patents stripe