CID 3048586

Nu-1168

Structural Information

Molecular Formula
C13H25NO2
SMILES
CCCCN1CCC(CC1)(C)OC(=O)CC
InChI
InChI=1S/C13H25NO2/c1-4-6-9-14-10-7-13(3,8-11-14)16-12(15)5-2/h4-11H2,1-3H3
InChIKey
YSKJUNGDWKCOBY-UHFFFAOYSA-N
Compound name
(1-butyl-4-methylpiperidin-4-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.18852 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.19580 156.9
[M+Na]+ 250.17774 166.4
[M+NH4]+ 245.22234 165.4
[M+K]+ 266.15168 158.4
[M-H]- 226.18124 157.3
[M+Na-2H]- 248.16319 161.4
[M]+ 227.18797 158.3
[M]- 227.18907 158.3
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.