CID 217223

Brn 1393258

Structural Information

Molecular Formula
C13H11NO6
SMILES
CCOC(=O)C1=CC(=O)C2=C(O1)C(=CC(=C2)[N+](=O)[O-])C
InChI
InChI=1S/C13H11NO6/c1-3-19-13(16)11-6-10(15)9-5-8(14(17)18)4-7(2)12(9)20-11/h4-6H,3H2,1-2H3
InChIKey
JWOFCRXKTGBJCS-UHFFFAOYSA-N
Compound name
ethyl 8-methyl-6-nitro-4-oxochromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.05862 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.06590 156.1
[M+Na]+ 300.04784 165.1
[M-H]- 276.05134 162.3
[M+NH4]+ 295.09244 171.4
[M+K]+ 316.02178 160.5
[M+H-H2O]+ 260.05588 153.9
[M+HCOO]- 322.05682 179.4
[M+CH3COO]- 336.07247 193.8
[M+Na-2H]- 298.03329 163.9
[M]+ 277.05807 160.7
[M]- 277.05917 160.7
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.