CID 14994968

1-cyclopropanecarbonylpiperidin-4-one

Structural Information

Molecular Formula
C9H13NO2
SMILES
C1CC1C(=O)N2CCC(=O)CC2
InChI
InChI=1S/C9H13NO2/c11-8-3-5-10(6-4-8)9(12)7-1-2-7/h7H,1-6H2
InChIKey
WOWAAVPJNOLUDA-UHFFFAOYSA-N
Compound name
1-(cyclopropanecarbonyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

167.09464 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 139.7
[M+Na]+ 190.083858 147.3
[M-H]- 166.087364 145.3
[M+NH4]+ 185.128463 153.8
[M+K]+ 206.057798 145.1
[M+H-H2O]+ 150.091900 132.5
[M+HCOO]- 212.092841 158.9
[M+CH3COO]- 226.108491 180.7
[M+Na-2H]- 188.069306 143.2
[M]+ 167.09409142 138.2
[M]- 167.09518858 138.2
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