CID 870752

2-furanacrylamide, alpha-cyano-

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=COC(=C1)/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C8H6N2O2/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H2,10,11)/b6-4+
InChIKey
KWNPZKPESLVGOB-GQCTYLIASA-N
Compound name
(E)-2-cyano-3-(furan-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

162.04292 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.050196 137.8
[M+Na]+ 185.032138 146.8
[M-H]- 161.035644 140.9
[M+NH4]+ 180.076743 155.8
[M+K]+ 201.006078 145.3
[M+H-H2O]+ 145.040180 125.0
[M+HCOO]- 207.041121 157.8
[M+CH3COO]- 221.056771 189.8
[M+Na-2H]- 183.017586 141.3
[M]+ 162.04237142 131.8
[M]- 162.04346858 131.8
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

No patent data available for this compound.