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]+ 260.20088 165.1
[M+Na]+ 282.18282 166.7
[M-H]- 258.18632 170.3
[M+NH4]+ 277.22742 182.3
[M+K]+ 298.15676 162.8
[M+H-H2O]+ 242.19086 156.5
[M+HCOO]- 304.19180 179.9
[M+CH3COO]- 318.20745 174.1
[M+Na-2H]- 280.16827 165.3
[M]+ 259.19305 155.9
[M]- 259.19415 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.