CID 20885113

1-(furan-2-carbonyl)piperidin-4-one

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1CN(CCC1=O)C(=O)C2=CC=CO2
InChI
InChI=1S/C10H11NO3/c12-8-3-5-11(6-4-8)10(13)9-2-1-7-14-9/h1-2,7H,3-6H2
InChIKey
OOHYAFZVSIYUTB-UHFFFAOYSA-N
Compound name
1-(furan-2-carbonyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

193.0739 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 139.8
[M+Na]+ 216.063118 146.2
[M-H]- 192.066624 145.5
[M+NH4]+ 211.107723 157.9
[M+K]+ 232.037058 145.8
[M+H-H2O]+ 176.071160 132.9
[M+HCOO]- 238.072101 159.8
[M+CH3COO]- 252.087751 179.3
[M+Na-2H]- 214.048566 143.4
[M]+ 193.07335142 137.6
[M]- 193.07444858 137.6
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

patents stripe