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 154.4
[M+Na]+ 248.16210 157.4
[M-H]- 224.16560 155.3
[M+NH4]+ 243.20670 170.9
[M+K]+ 264.13604 156.9
[M+H-H2O]+ 208.17014 148.2
[M+HCOO]- 270.17108 168.4
[M+CH3COO]- 284.18673 191.6
[M+Na-2H]- 246.14755 154.9
[M]+ 225.17233 151.1
[M]- 225.17343 151.1
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.