CID 5919317

Nsc662432

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C1=COC(=C1)/C=C/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C10H8N2O2/c11-7-8(10(12)13)3-1-4-9-5-2-6-14-9/h1-6H,(H2,12,13)/b4-1+,8-3+
InChIKey
WGDXRTUQAVLUTM-ZOVTWTBISA-N
Compound name
(2E,4E)-2-cyano-5-(furan-2-yl)penta-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.05858 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 146.5
[M+Na]+ 211.04780 155.0
[M-H]- 187.05130 149.3
[M+NH4]+ 206.09240 163.5
[M+K]+ 227.02174 152.5
[M+H-H2O]+ 171.05584 133.3
[M+HCOO]- 233.05678 166.0
[M+CH3COO]- 247.07243 193.8
[M+Na-2H]- 209.03325 148.9
[M]+ 188.05803 140.3
[M]- 188.05913 140.3
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.