CID 99217

53207-48-0

Structural Information

Molecular Formula
C13H15NO2
SMILES
CCC1(C(=O)C2=CC=CC=C2N(C1=O)C)C
InChI
InChI=1S/C13H15NO2/c1-4-13(2)11(15)9-7-5-6-8-10(9)14(3)12(13)16/h5-8H,4H2,1-3H3
InChIKey
BBQNGGYRGPXQNA-UHFFFAOYSA-N
Compound name
3-ethyl-1,3-dimethylquinoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 145.5
[M+Na]+ 240.09950 155.9
[M-H]- 216.10300 149.4
[M+NH4]+ 235.14410 166.6
[M+K]+ 256.07344 152.7
[M+H-H2O]+ 200.10754 139.6
[M+HCOO]- 262.10848 165.3
[M+CH3COO]- 276.12413 190.7
[M+Na-2H]- 238.08495 151.4
[M]+ 217.10973 146.7
[M]- 217.11083 146.7
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

No patent data available for this compound.