CID 217270

38370-78-4

Structural Information

Molecular Formula
C15H29NO2
SMILES
CCCC(C)(C)C(=O)OCCCN1CCCCC1
InChI
InChI=1S/C15H29NO2/c1-4-9-15(2,3)14(17)18-13-8-12-16-10-6-5-7-11-16/h4-13H2,1-3H3
InChIKey
VHCMHUPUKLWLSN-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 2,2-dimethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.21983 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.22711 166.5
[M+Na]+ 278.20905 168.7
[M-H]- 254.21255 166.7
[M+NH4]+ 273.25365 181.9
[M+K]+ 294.18299 167.3
[M+H-H2O]+ 238.21709 159.3
[M+HCOO]- 300.21803 181.5
[M+CH3COO]- 314.23368 196.8
[M+Na-2H]- 276.19450 168.1
[M]+ 255.21928 165.9
[M]- 255.22038 165.9
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.