CID 32509

2-ethyl-2-methylhexanoic acid 2-piperidinoethyl ester hydrochloride

Structural Information

Molecular Formula
C16H31NO2
SMILES
CCCCC(C)(CC)C(=O)OCCN1CCCCC1
InChI
InChI=1S/C16H31NO2/c1-4-6-10-16(3,5-2)15(18)19-14-13-17-11-8-7-9-12-17/h4-14H2,1-3H3
InChIKey
CSWZOOFXTQTWKG-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 2-ethyl-2-methylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.23547 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.24275 169.7
[M+Na]+ 292.22469 177.7
[M+NH4]+ 287.26929 176.0
[M+K]+ 308.19863 171.8
[M-H]- 268.22819 169.3
[M+Na-2H]- 290.21014 172.0
[M]+ 269.23492 170.5
[M]- 269.23602 170.5
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.