CID 4528178

N-furfuryl-2-furamide

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1=COC(=C1)CNC(=O)C2=CC=CO2
InChI
InChI=1S/C10H9NO3/c12-10(9-4-2-6-14-9)11-7-8-3-1-5-13-8/h1-6H,7H2,(H,11,12)
InChIKey
MJFIAAOIDQJCHO-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

191.05824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 138.2
[M+Na]+ 214.047458 146.4
[M-H]- 190.050964 146.9
[M+NH4]+ 209.092063 158.0
[M+K]+ 230.021398 147.1
[M+H-H2O]+ 174.055500 132.6
[M+HCOO]- 236.056441 165.8
[M+CH3COO]- 250.072091 180.5
[M+Na-2H]- 212.032906 145.2
[M]+ 191.05769142 142.2
[M]- 191.05878858 142.2
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