CID 208728

1-(2,2,4,4-tetramethylvaleryl)piperidine

Structural Information

Molecular Formula
C14H27NO
SMILES
CC(C)(C)CC(C)(C)C(=O)N1CCCCC1
InChI
InChI=1S/C14H27NO/c1-13(2,3)11-14(4,5)12(16)15-9-7-6-8-10-15/h6-11H2,1-5H3
InChIKey
AKLAFAZFSLXZIC-UHFFFAOYSA-N
Compound name
2,2,4,4-tetramethyl-1-piperidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.20926 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.216536 157.4
[M+Na]+ 248.198478 160.8
[M-H]- 224.201984 158.4
[M+NH4]+ 243.243083 174.4
[M+K]+ 264.172418 159.6
[M+H-H2O]+ 208.206520 151.6
[M+HCOO]- 270.207461 171.1
[M+CH3COO]- 284.223111 191.6
[M+Na-2H]- 246.183926 160.5
[M]+ 225.20871142 154.5
[M]- 225.20980858 154.5
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.