CID 104437

Brn 1469840

Structural Information

Molecular Formula
C13H15NO3
SMILES
CC1(C(=O)C2=C(C=C(C=C2)OC)N(C1=O)C)C
InChI
InChI=1S/C13H15NO3/c1-13(2)11(15)9-6-5-8(17-4)7-10(9)14(3)12(13)16/h5-7H,1-4H3
InChIKey
JMHAWUPHWVZORZ-UHFFFAOYSA-N
Compound name
7-methoxy-1,3,3-trimethylquinoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1052 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 147.8
[M+Na]+ 256.09442 158.9
[M-H]- 232.09792 151.9
[M+NH4]+ 251.13902 168.4
[M+K]+ 272.06836 156.4
[M+H-H2O]+ 216.10246 142.0
[M+HCOO]- 278.10340 167.7
[M+CH3COO]- 292.11905 194.1
[M+Na-2H]- 254.07987 153.2
[M]+ 233.10465 150.8
[M]- 233.10575 150.8
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.