CID 22301

Hydrohydrastinine

Structural Information

Molecular Formula
C11H13NO2
SMILES
CN1CCC2=CC3=C(C=C2C1)OCO3
InChI
InChI=1S/C11H13NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3
InChIKey
XNZFFRJWTVYMBF-UHFFFAOYSA-N
Compound name
6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

36
Patents

191.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 138.4
[M+Na]+ 214.083858 146.7
[M-H]- 190.087364 143.4
[M+NH4]+ 209.128463 158.0
[M+K]+ 230.057798 146.2
[M+H-H2O]+ 174.091900 132.3
[M+HCOO]- 236.092841 155.7
[M+CH3COO]- 250.108491 151.8
[M+Na-2H]- 212.069306 145.9
[M]+ 191.09409142 138.3
[M]- 191.09518858 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

literature stripe

Patent stripe

patents stripe