CID 6715

Cotarnine

Structural Information

Molecular Formula
C12H15NO4
SMILES
CN1CCC2=CC3=C(C(=C2C1O)OC)OCO3
InChI
InChI=1S/C12H15NO4/c1-13-4-3-7-5-8-10(17-6-16-8)11(15-2)9(7)12(13)14/h5,12,14H,3-4,6H2,1-2H3
InChIKey
PAPMYQLKLNRZIR-UHFFFAOYSA-N
Compound name
4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

189
Patents

237.10011 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 150.0
[M+Na]+ 260.08933 159.0
[M-H]- 236.09283 154.2
[M+NH4]+ 255.13393 167.5
[M+K]+ 276.06327 158.5
[M+H-H2O]+ 220.09737 144.2
[M+HCOO]- 282.09831 165.7
[M+CH3COO]- 296.11396 162.6
[M+Na-2H]- 258.07478 155.4
[M]+ 237.09956 152.3
[M]- 237.10066 152.3
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