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 171.0
[M+Na]+ 292.22469 172.8
[M-H]- 268.22819 171.0
[M+NH4]+ 287.26929 185.9
[M+K]+ 308.19863 171.1
[M+H-H2O]+ 252.23273 163.7
[M+HCOO]- 314.23367 185.7
[M+CH3COO]- 328.24932 199.8
[M+Na-2H]- 290.21014 172.1
[M]+ 269.23492 170.7
[M]- 269.23602 170.7
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.