CID 870752

3695-90-7

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
2
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]+ 163.05020 137.8
[M+Na]+ 185.03214 146.8
[M-H]- 161.03564 140.9
[M+NH4]+ 180.07674 155.8
[M+K]+ 201.00608 145.3
[M+H-H2O]+ 145.04018 125.0
[M+HCOO]- 207.04112 157.8
[M+CH3COO]- 221.05677 189.8
[M+Na-2H]- 183.01759 141.3
[M]+ 162.04237 131.8
[M]- 162.04347 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.