CID 21113015

6132-33-8

Structural Information

Molecular Formula
C7H7NO5
SMILES
CCOC(=O)C1=COC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H7NO5/c1-2-12-7(9)5-3-6(8(10)11)13-4-5/h3-4H,2H2,1H3
InChIKey
MCJIQUBSSHRKKB-UHFFFAOYSA-N
Compound name
ethyl 5-nitrofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

185.03242 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03970 135.6
[M+Na]+ 208.02164 143.3
[M-H]- 184.02514 140.4
[M+NH4]+ 203.06624 154.9
[M+K]+ 223.99558 140.4
[M+H-H2O]+ 168.02968 134.9
[M+HCOO]- 230.03062 161.5
[M+CH3COO]- 244.04627 173.0
[M+Na-2H]- 206.00709 143.0
[M]+ 185.03187 137.9
[M]- 185.03297 137.9
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

patents stripe