CID 234203

6272-87-3

Structural Information

Molecular Formula
C10H11NO6
SMILES
CCOC(=O)C1=C(OC(=O)C(=C1C)[N+](=O)[O-])C
InChI
InChI=1S/C10H11NO6/c1-4-16-9(12)7-5(2)8(11(14)15)10(13)17-6(7)3/h4H2,1-3H3
InChIKey
KXASAKVOYQQSMB-UHFFFAOYSA-N
Compound name
ethyl 2,4-dimethyl-5-nitro-6-oxopyran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05864 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.065916 146.6
[M+Na]+ 264.047858 156.1
[M-H]- 240.051364 152.2
[M+NH4]+ 259.092463 162.8
[M+K]+ 280.021798 152.5
[M+H-H2O]+ 224.055900 145.3
[M+HCOO]- 286.056841 171.3
[M+CH3COO]- 300.072491 187.0
[M+Na-2H]- 262.033306 152.9
[M]+ 241.05809142 151.5
[M]- 241.05918858 151.5
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.