CID 304848

2-cyano-n-[(furan-2-yl)methyl]acetamide

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C1=COC(=C1)CNC(=O)CC#N
InChI
InChI=1S/C8H8N2O2/c9-4-3-8(11)10-6-7-2-1-5-12-7/h1-2,5H,3,6H2,(H,10,11)
InChIKey
NICPABBXIAAASM-UHFFFAOYSA-N
Compound name
2-cyano-N-(furan-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

164.05858 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.065856 135.1
[M+Na]+ 187.047798 144.0
[M-H]- 163.051304 138.5
[M+NH4]+ 182.092403 153.4
[M+K]+ 203.021738 143.0
[M+H-H2O]+ 147.055840 122.1
[M+HCOO]- 209.056781 156.4
[M+CH3COO]- 223.072431 190.4
[M+Na-2H]- 185.033246 140.9
[M]+ 164.05803142 131.2
[M]- 164.05912858 131.2
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