CID 708097

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

Structural Information

Molecular Formula
C10H8N2O5
SMILES
CCOC(=O)/C(=C/C1=CC=C(O1)[N+](=O)[O-])/C#N
InChI
InChI=1S/C10H8N2O5/c1-2-16-10(13)7(6-11)5-8-3-4-9(17-8)12(14)15/h3-5H,2H2,1H3/b7-5+
InChIKey
STWDHFNLNIGHOF-FNORWQNLSA-N
Compound name
ethyl (E)-2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.04332 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05060 156.0
[M+Na]+ 259.03254 164.3
[M-H]- 235.03604 159.4
[M+NH4]+ 254.07714 171.1
[M+K]+ 275.00648 159.9
[M+H-H2O]+ 219.04058 147.1
[M+HCOO]- 281.04152 176.2
[M+CH3COO]- 295.05717 194.6
[M+Na-2H]- 257.01799 159.7
[M]+ 236.04277 152.4
[M]- 236.04387 152.4
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.