CID 3038691

5,6-dihydroxy-1-methyl-1,2,3,8,9,9a-hexahydro-7h-benzo(de)quinolin-7-one

Structural Information

Molecular Formula
C13H15NO3
SMILES
CN1CCC2=CC(=C(C3=C2C1CCC3=O)O)O
InChI
InChI=1S/C13H15NO3/c1-14-5-4-7-6-10(16)13(17)12-9(15)3-2-8(14)11(7)12/h6,8,16-17H,2-5H2,1H3
InChIKey
BLARQGSDYHDWII-UHFFFAOYSA-N
Compound name
5,6-dihydroxy-1-methyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1052 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 150.4
[M+Na]+ 256.09442 163.0
[M+NH4]+ 251.13902 158.8
[M+K]+ 272.06836 156.9
[M-H]- 232.09792 151.5
[M+Na-2H]- 254.07987 152.7
[M]+ 233.10465 152.3
[M]- 233.10575 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.