CID 10909747

Schembl19435738

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC(=O)N/C=C/C1=CC=CO1
InChI
InChI=1S/C8H9NO2/c1-7(10)9-5-4-8-3-2-6-11-8/h2-6H,1H3,(H,9,10)/b5-4+
InChIKey
XZWXJQJIUFZXFY-SNAWJCMRSA-N
Compound name
N-[(E)-2-(furan-2-yl)ethenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

151.06332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 131.2
[M+Na]+ 174.05254 138.5
[M-H]- 150.05604 135.5
[M+NH4]+ 169.09714 152.5
[M+K]+ 190.02648 138.1
[M+H-H2O]+ 134.06058 125.7
[M+HCOO]- 196.06152 156.7
[M+CH3COO]- 210.07717 174.9
[M+Na-2H]- 172.03799 137.6
[M]+ 151.06277 131.9
[M]- 151.06387 131.9
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