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]+ 210.14887 149.0
[M+Na]+ 232.13081 152.5
[M-H]- 208.13431 152.3
[M+NH4]+ 227.17541 165.5
[M+K]+ 248.10475 151.4
[M+H-H2O]+ 192.13885 141.6
[M+HCOO]- 254.13979 166.1
[M+CH3COO]- 268.15544 181.9
[M+Na-2H]- 230.11626 151.6
[M]+ 209.14104 145.2
[M]- 209.14214 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.