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

0
Patents

269.23547 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.24275 169.4
[M+Na]+ 292.22469 172.6
[M-H]- 268.22819 169.8
[M+NH4]+ 287.26929 186.5
[M+K]+ 308.19863 170.8
[M+H-H2O]+ 252.23273 162.5
[M+HCOO]- 314.23367 185.6
[M+CH3COO]- 328.24932 200.1
[M+Na-2H]- 290.21014 170.2
[M]+ 269.23492 170.2
[M]- 269.23602 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.