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]+ 194.08118 139.8
[M+Na]+ 216.06312 146.2
[M-H]- 192.06662 145.5
[M+NH4]+ 211.10772 157.9
[M+K]+ 232.03706 145.8
[M+H-H2O]+ 176.07116 132.9
[M+HCOO]- 238.07210 159.8
[M+CH3COO]- 252.08775 179.3
[M+Na-2H]- 214.04857 143.4
[M]+ 193.07335 137.6
[M]- 193.07445 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