CID 3086931

(+-)-trans-2-(4-phenylpiperidino)cyclopentanol

Structural Information

Molecular Formula
C16H23NO
SMILES
C1C[C@H]([C@@H](C1)O)N2CCC(CC2)C3=CC=CC=C3
InChI
InChI=1S/C16H23NO/c18-16-8-4-7-15(16)17-11-9-14(10-12-17)13-5-2-1-3-6-13/h1-3,5-6,14-16,18H,4,7-12H2/t15-,16-/m1/s1
InChIKey
ZCHXQEYBMVFQQT-HZPDHXFCSA-N
Compound name
(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.17796 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 159.5
[M+Na]+ 268.16718 162.7
[M-H]- 244.17068 165.1
[M+NH4]+ 263.21178 175.9
[M+K]+ 284.14112 158.3
[M+H-H2O]+ 228.17522 151.0
[M+HCOO]- 290.17616 175.5
[M+CH3COO]- 304.19181 169.4
[M+Na-2H]- 266.15263 159.1
[M]+ 245.17741 151.0
[M]- 245.17851 151.0
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.