CID 3048621

4-piperidinol, 1,4-dibutyl-, acetate, hydrochloride

Structural Information

Molecular Formula
C15H29NO2
SMILES
CCCCC1(CCN(CC1)CCCC)OC(=O)C
InChI
InChI=1S/C15H29NO2/c1-4-6-8-15(18-14(3)17)9-12-16(13-10-15)11-7-5-2/h4-13H2,1-3H3
InChIKey
AZNYCQJTRWTIIC-UHFFFAOYSA-N
Compound name
(1,4-dibutylpiperidin-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.21983 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.22711 164.9
[M+Na]+ 278.20905 168.6
[M-H]- 254.21255 165.6
[M+NH4]+ 273.25365 182.6
[M+K]+ 294.18299 167.1
[M+H-H2O]+ 238.21709 158.3
[M+HCOO]- 300.21803 181.5
[M+CH3COO]- 314.23368 197.1
[M+Na-2H]- 276.19450 166.3
[M]+ 255.21928 165.4
[M]- 255.22038 165.4
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.