CID 326959

Nsc299879

Structural Information

Molecular Formula
C11H9NO5
SMILES
CC1=CC(=O)OC2=CC(=C(C=C12)[N+](=O)[O-])OC
InChI
InChI=1S/C11H9NO5/c1-6-3-11(13)17-9-5-10(16-2)8(12(14)15)4-7(6)9/h3-5H,1-2H3
InChIKey
WDTSLGKXQQQGGL-UHFFFAOYSA-N
Compound name
7-methoxy-4-methyl-6-nitrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.04807 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05535 144.8
[M+Na]+ 258.03729 154.9
[M-H]- 234.04079 151.3
[M+NH4]+ 253.08189 162.1
[M+K]+ 274.01123 150.2
[M+H-H2O]+ 218.04533 143.1
[M+HCOO]- 280.04627 169.5
[M+CH3COO]- 294.06192 186.4
[M+Na-2H]- 256.02274 154.6
[M]+ 235.04752 148.8
[M]- 235.04862 148.8
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.