CID 4202451

72544-16-2

Structural Information

Molecular Formula
C9H17NO
SMILES
CC(C)CN1CCC(=O)CC1
InChI
InChI=1S/C9H17NO/c1-8(2)7-10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3
InChIKey
KMTASGXMTBUSSP-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

155.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 136.2
[M+Na]+ 178.12023 146.8
[M+NH4]+ 173.16483 144.5
[M+K]+ 194.09417 140.9
[M-H]- 154.12373 137.3
[M+Na-2H]- 176.10568 140.6
[M]+ 155.13046 137.8
[M]- 155.13156 137.8
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