CID 32509

24589-43-3

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]+ 270.242746 171.0
[M+Na]+ 292.224688 172.8
[M-H]- 268.228194 171.0
[M+NH4]+ 287.269293 185.9
[M+K]+ 308.198628 171.1
[M+H-H2O]+ 252.232730 163.7
[M+HCOO]- 314.233671 185.7
[M+CH3COO]- 328.249321 199.8
[M+Na-2H]- 290.210136 172.1
[M]+ 269.23492142 170.7
[M]- 269.23601858 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.