CID 915131

20207-84-5

Structural Information

Molecular Formula
C11H11NO6
SMILES
CCOC(=O)/C(=C/C1=CC=C(O1)[N+](=O)[O-])/C(=O)C
InChI
InChI=1S/C11H11NO6/c1-3-17-11(14)9(7(2)13)6-8-4-5-10(18-8)12(15)16/h4-6H,3H2,1-2H3/b9-6+
InChIKey
QTLBKSGZCHZBHO-RMKNXTFCSA-N
Compound name
ethyl (2E)-2-[(5-nitrofuran-2-yl)methylidene]-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.05864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.065916 155.4
[M+Na]+ 276.047858 161.4
[M-H]- 252.051364 159.8
[M+NH4]+ 271.092463 171.6
[M+K]+ 292.021798 157.9
[M+H-H2O]+ 236.055900 154.2
[M+HCOO]- 298.056841 178.6
[M+CH3COO]- 312.072491 186.1
[M+Na-2H]- 274.033306 158.6
[M]+ 253.05809142 157.8
[M]- 253.05918858 157.8
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.