CID 899314

Ethyl 3-(5-nitro-2-furyl)acrylate

Structural Information

Molecular Formula
C9H9NO5
SMILES
CCOC(=O)/C=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C9H9NO5/c1-2-14-9(11)6-4-7-3-5-8(15-7)10(12)13/h3-6H,2H2,1H3/b6-4+
InChIKey
WGROOPOBLKUOMN-GQCTYLIASA-N
Compound name
ethyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

211.04807 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05535 144.6
[M+Na]+ 234.03729 151.8
[M-H]- 210.04079 149.1
[M+NH4]+ 229.08189 162.9
[M+K]+ 250.01123 147.9
[M+H-H2O]+ 194.04533 143.6
[M+HCOO]- 256.04627 170.1
[M+CH3COO]- 270.06192 177.4
[M+Na-2H]- 232.02274 150.9
[M]+ 211.04752 146.9
[M]- 211.04862 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe