CID 122563

1-acetyl-4-piperidone

Structural Information

Molecular Formula
C7H11NO2
SMILES
CC(=O)N1CCC(=O)CC1
InChI
InChI=1S/C7H11NO2/c1-6(9)8-4-2-7(10)3-5-8/h2-5H2,1H3
InChIKey
NNFOVLFUGLWWCL-UHFFFAOYSA-N
Compound name
1-acetylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1550
Patents

141.07898 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 128.2
[M+Na]+ 164.06820 134.7
[M-H]- 140.07170 130.1
[M+NH4]+ 159.11280 148.4
[M+K]+ 180.04214 134.3
[M+H-H2O]+ 124.07624 122.3
[M+HCOO]- 186.07718 147.7
[M+CH3COO]- 200.09283 172.6
[M+Na-2H]- 162.05365 132.7
[M]+ 141.07843 124.8
[M]- 141.07953 124.8
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