CID 208369

2-piperidinoethyl 2,2,4,4-tetramethylvalerate methiodide

Structural Information

Molecular Formula
C17H34NO2
SMILES
CC(C)(C)CC(C)(C)C(=O)OCC[N+]1(CCCCC1)C
InChI
InChI=1S/C17H34NO2/c1-16(2,3)14-17(4,5)15(19)20-13-12-18(6)10-8-7-9-11-18/h7-14H2,1-6H3/q+1
InChIKey
MDKWEUZRUYDZAJ-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-1-ium-1-yl)ethyl 2,2,4,4-tetramethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.25894 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.26622 170.9
[M+Na]+ 307.24816 173.7
[M-H]- 283.25166 171.9
[M+NH4]+ 302.29276 187.5
[M+K]+ 323.22210 167.1
[M+H-H2O]+ 267.25620 168.3
[M+HCOO]- 329.25714 183.4
[M+CH3COO]- 343.27279 195.2
[M+Na-2H]- 305.23361 176.7
[M]+ 284.25839 169.0
[M]- 284.25949 169.0
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.