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

231
Patents

169.11028 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.117556 137.2
[M+Na]+ 192.099498 142.6
[M-H]- 168.103004 138.8
[M+NH4]+ 187.144103 156.2
[M+K]+ 208.073438 142.2
[M+H-H2O]+ 152.107540 131.1
[M+HCOO]- 214.108481 155.0
[M+CH3COO]- 228.124131 179.5
[M+Na-2H]- 190.084946 139.4
[M]+ 169.10973142 133.9
[M]- 169.11082858 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