CID 363519

Nsc628451

Structural Information

Molecular Formula
C12H11NO3
SMILES
CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)C)OC
InChI
InChI=1S/C12H11NO3/c1-6-4-5-8-9(13-6)10(14)7(2)12(16-3)11(8)15/h4-5H,1-3H3
InChIKey
IWESZEFHNXSHEZ-UHFFFAOYSA-N
Compound name
6-methoxy-2,7-dimethylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.0739 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 143.2
[M+Na]+ 240.06312 154.8
[M-H]- 216.06662 147.5
[M+NH4]+ 235.10772 162.4
[M+K]+ 256.03706 152.0
[M+H-H2O]+ 200.07116 136.8
[M+HCOO]- 262.07210 164.9
[M+CH3COO]- 276.08775 191.2
[M+Na-2H]- 238.04857 148.7
[M]+ 217.07335 146.9
[M]- 217.07445 146.9
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.