CID 3048624

4-piperidinol, 1,4-dibutyl-, propionate, hydrochloride

Structural Information

Molecular Formula
C16H31NO2
SMILES
CCCCC1(CCN(CC1)CCCC)OC(=O)CC
InChI
InChI=1S/C16H31NO2/c1-4-7-9-16(19-15(18)6-3)10-13-17(14-11-16)12-8-5-2/h4-14H2,1-3H3
InChIKey
QRKFCQHDUXHRHE-UHFFFAOYSA-N
Compound name
(1,4-dibutylpiperidin-4-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

269.23547 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.242746 169.4
[M+Na]+ 292.224688 172.6
[M-H]- 268.228194 169.8
[M+NH4]+ 287.269293 186.5
[M+K]+ 308.198628 170.8
[M+H-H2O]+ 252.232730 162.5
[M+HCOO]- 314.233671 185.6
[M+CH3COO]- 328.249321 200.1
[M+Na-2H]- 290.210136 170.2
[M]+ 269.23492142 170.2
[M]- 269.23601858 170.2
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.