CID 3048582

4-piperidinol, 1-butyl-4-(2-furyl)-, hydrochloride

Structural Information

Molecular Formula
C13H21NO2
SMILES
CCCCN1CCC(CC1)(C2=CC=CO2)O
InChI
InChI=1S/C13H21NO2/c1-2-3-8-14-9-6-13(15,7-10-14)12-5-4-11-16-12/h4-5,11,15H,2-3,6-10H2,1H3
InChIKey
IIIIQHADHUCHQB-UHFFFAOYSA-N
Compound name
1-butyl-4-(furan-2-yl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

223.15723 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.164506 152.1
[M+Na]+ 246.146448 157.5
[M-H]- 222.149954 156.0
[M+NH4]+ 241.191053 170.6
[M+K]+ 262.120388 155.9
[M+H-H2O]+ 206.154490 145.5
[M+HCOO]- 268.155431 170.1
[M+CH3COO]- 282.171081 184.7
[M+Na-2H]- 244.131896 156.0
[M]+ 223.15668142 150.2
[M]- 223.15777858 150.2
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.