CID 36051

38370-71-7

Structural Information

Molecular Formula
C17H33NO2
SMILES
CCCCC(C)(CC)C(=O)OCCCN1CCCCC1
InChI
InChI=1S/C17H33NO2/c1-4-6-11-17(3,5-2)16(19)20-15-10-14-18-12-8-7-9-13-18/h4-15H2,1-3H3
InChIKey
BFQVQBCLVWGWNC-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 2-ethyl-2-methylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.25113 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.25841 175.5
[M+Na]+ 306.24035 176.9
[M-H]- 282.24385 175.3
[M+NH4]+ 301.28495 189.8
[M+K]+ 322.21429 174.9
[M+H-H2O]+ 266.24839 168.0
[M+HCOO]- 328.24933 189.8
[M+CH3COO]- 342.26498 202.8
[M+Na-2H]- 304.22580 176.0
[M]+ 283.25058 175.6
[M]- 283.25168 175.6
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.