CID 57844

Alpha-(1-piperidino)cyclopentylbenzyl alcohol

Structural Information

Molecular Formula
C17H25NO
SMILES
C1CCN(CC1)C2(CCCC2)C(C3=CC=CC=C3)O
InChI
InChI=1S/C17H25NO/c19-16(15-9-3-1-4-10-15)17(11-5-6-12-17)18-13-7-2-8-14-18/h1,3-4,9-10,16,19H,2,5-8,11-14H2
InChIKey
MBMPVHISMUZZGO-UHFFFAOYSA-N
Compound name
phenyl-(1-piperidin-1-ylcyclopentyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1936 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.200876 165.1
[M+Na]+ 282.182818 166.7
[M-H]- 258.186324 170.3
[M+NH4]+ 277.227423 182.3
[M+K]+ 298.156758 162.8
[M+H-H2O]+ 242.190860 156.5
[M+HCOO]- 304.191801 179.9
[M+CH3COO]- 318.207451 174.1
[M+Na-2H]- 280.168266 165.3
[M]+ 259.19305142 155.9
[M]- 259.19414858 155.9
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.