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

2
Patents

223.15723 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 152.1
[M+Na]+ 246.14645 157.5
[M-H]- 222.14995 156.0
[M+NH4]+ 241.19105 170.6
[M+K]+ 262.12039 155.9
[M+H-H2O]+ 206.15449 145.5
[M+HCOO]- 268.15543 170.1
[M+CH3COO]- 282.17108 184.7
[M+Na-2H]- 244.13190 156.0
[M]+ 223.15668 150.2
[M]- 223.15778 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.