CID 212594

2,2-dimethylvaleric acid 2-piperidinoethyl ester hydrochloride

Structural Information

Molecular Formula
C14H27NO2
SMILES
CCCC(C)(C)C(=O)OCCN1CCCCC1
InChI
InChI=1S/C14H27NO2/c1-4-8-14(2,3)13(16)17-12-11-15-9-6-5-7-10-15/h4-12H2,1-3H3
InChIKey
ZTOUUALKOIZMOQ-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 2,2-dimethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.20418 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.21146 161.0
[M+Na]+ 264.19340 169.4
[M+NH4]+ 259.23800 167.6
[M+K]+ 280.16734 164.0
[M-H]- 240.19690 160.7
[M+Na-2H]- 262.17885 163.8
[M]+ 241.20363 161.8
[M]- 241.20473 161.8
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.