CID 33722

Piperidin-3-one hydrochloride

Structural Information

Molecular Formula
C5H9NO
SMILES
C1CC(=O)CNC1
InChI
InChI=1S/C5H9NO/c7-5-2-1-3-6-4-5/h6H,1-4H2
InChIKey
USISRUCGEISZIB-UHFFFAOYSA-N
Compound name
piperidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2121
Patents

99.06841 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.075686 118.7
[M+Na]+ 122.057628 124.5
[M-H]- 98.061134 118.9
[M+NH4]+ 117.102233 139.6
[M+K]+ 138.031568 123.3
[M+H-H2O]+ 82.065670 113.1
[M+HCOO]- 144.066611 137.8
[M+CH3COO]- 158.082261 161.4
[M+Na-2H]- 120.043076 125.6
[M]+ 99.06786142 112.2
[M]- 99.06895858 112.2
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