CID 2777250

1,4-diacetylpiperidine

Structural Information

Molecular Formula
C9H15NO2
SMILES
CC(=O)C1CCN(CC1)C(=O)C
InChI
InChI=1S/C9H15NO2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h9H,3-6H2,1-2H3
InChIKey
VFZXZEJGLKOTBW-UHFFFAOYSA-N
Compound name
1-(1-acetylpiperidin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

169.11028 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 137.2
[M+Na]+ 192.09950 142.6
[M-H]- 168.10300 138.8
[M+NH4]+ 187.14410 156.2
[M+K]+ 208.07344 142.2
[M+H-H2O]+ 152.10754 131.1
[M+HCOO]- 214.10848 155.0
[M+CH3COO]- 228.12413 179.5
[M+Na-2H]- 190.08495 139.4
[M]+ 169.10973 133.9
[M]- 169.11083 133.9
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