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]+ 284.258406 175.5
[M+Na]+ 306.240348 176.9
[M-H]- 282.243854 175.3
[M+NH4]+ 301.284953 189.8
[M+K]+ 322.214288 174.9
[M+H-H2O]+ 266.248390 168.0
[M+HCOO]- 328.249331 189.8
[M+CH3COO]- 342.264981 202.8
[M+Na-2H]- 304.225796 176.0
[M]+ 283.25058142 175.6
[M]- 283.25167858 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.