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

60
Patents

167.09464 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 139.7
[M+Na]+ 190.08386 147.3
[M-H]- 166.08736 145.3
[M+NH4]+ 185.12846 153.8
[M+K]+ 206.05780 145.1
[M+H-H2O]+ 150.09190 132.5
[M+HCOO]- 212.09284 158.9
[M+CH3COO]- 226.10849 180.7
[M+Na-2H]- 188.06931 143.2
[M]+ 167.09409 138.2
[M]- 167.09519 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