CID 494727

Nsc629805

Structural Information

Molecular Formula
C11H10N2O4
SMILES
CC1=CC(=O)NC2=C1C(=C(C=C2)OC)[N+](=O)[O-]
InChI
InChI=1S/C11H10N2O4/c1-6-5-9(14)12-7-3-4-8(17-2)11(10(6)7)13(15)16/h3-5H,1-2H3,(H,12,14)
InChIKey
UEVOWYGDNLFANM-UHFFFAOYSA-N
Compound name
6-methoxy-4-methyl-5-nitro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 145.8
[M+Na]+ 257.05328 155.4
[M-H]- 233.05678 148.8
[M+NH4]+ 252.09788 162.4
[M+K]+ 273.02722 148.1
[M+H-H2O]+ 217.06132 143.7
[M+HCOO]- 279.06226 168.3
[M+CH3COO]- 293.07791 184.0
[M+Na-2H]- 255.03873 154.4
[M]+ 234.06351 146.3
[M]- 234.06461 146.3
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.