CID 99355

1-(3-oxo-2,2,4-trimethylvaleryl)piperidine

Structural Information

Molecular Formula
C13H23NO2
SMILES
CC(C)C(=O)C(C)(C)C(=O)N1CCCCC1
InChI
InChI=1S/C13H23NO2/c1-10(2)11(15)13(3,4)12(16)14-8-6-5-7-9-14/h10H,5-9H2,1-4H3
InChIKey
SLTCQIMTEMTYEH-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-1-piperidin-1-ylpentane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.17288 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.18016 154.8
[M+Na]+ 248.16210 162.7
[M+NH4]+ 243.20670 161.1
[M+K]+ 264.13604 159.2
[M-H]- 224.16560 153.8
[M+Na-2H]- 246.14755 157.1
[M]+ 225.17233 155.3
[M]- 225.17343 155.3
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

No patent data available for this compound.