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]+ 242.06592 146.6
[M+Na]+ 264.04786 156.1
[M-H]- 240.05136 152.2
[M+NH4]+ 259.09246 162.8
[M+K]+ 280.02180 152.5
[M+H-H2O]+ 224.05590 145.3
[M+HCOO]- 286.05684 171.3
[M+CH3COO]- 300.07249 187.0
[M+Na-2H]- 262.03331 152.9
[M]+ 241.05809 151.5
[M]- 241.05919 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.