CID 208371

32058-56-3

Structural Information

Molecular Formula
C17H33NO2
SMILES
CC(C)(C)CC(C)(C)C(=O)OCCCN1CCCCC1
InChI
InChI=1S/C17H33NO2/c1-16(2,3)14-17(4,5)15(19)20-13-9-12-18-10-7-6-8-11-18/h6-14H2,1-5H3
InChIKey
RFIFVFYQIKCFIS-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 2,2,4,4-tetramethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.25113 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.258406 174.5
[M+Na]+ 306.240348 176.4
[M-H]- 282.243854 174.8
[M+NH4]+ 301.284953 189.0
[M+K]+ 322.214288 175.0
[M+H-H2O]+ 266.248390 167.8
[M+HCOO]- 328.249331 187.3
[M+CH3COO]- 342.264981 202.6
[M+Na-2H]- 304.225796 176.1
[M]+ 283.25058142 174.1
[M]- 283.25167858 174.1
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.