CID 201867

1-piperidinepropanol, gamma-2-furyl-

Structural Information

Molecular Formula
C12H19NO2
SMILES
C1CCN(CC1)C(CCO)C2=CC=CO2
InChI
InChI=1S/C12H19NO2/c14-9-6-11(12-5-4-10-15-12)13-7-2-1-3-8-13/h4-5,10-11,14H,1-3,6-9H2
InChIKey
SBLRONNKKPDPMY-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 149.0
[M+Na]+ 232.130808 152.5
[M-H]- 208.134314 152.3
[M+NH4]+ 227.175413 165.5
[M+K]+ 248.104748 151.4
[M+H-H2O]+ 192.138850 141.6
[M+HCOO]- 254.139791 166.1
[M+CH3COO]- 268.155441 181.9
[M+Na-2H]- 230.116256 151.6
[M]+ 209.14104142 145.2
[M]- 209.14213858 145.2
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.