CID 3078235

(+-)-n-(2-hydroxybutyl)-4-phenylpiperidine hydrochloride

Structural Information

Molecular Formula
C15H23NO
SMILES
CCC(CN1CCC(CC1)C2=CC=CC=C2)O
InChI
InChI=1S/C15H23NO/c1-2-15(17)12-16-10-8-14(9-11-16)13-6-4-3-5-7-13/h3-7,14-15,17H,2,8-12H2,1H3
InChIKey
CZOVPNVTVNILDM-UHFFFAOYSA-N
Compound name
1-(4-phenylpiperidin-1-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

233.17796 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 157.3
[M+Na]+ 256.16718 160.5
[M-H]- 232.17068 159.8
[M+NH4]+ 251.21178 172.6
[M+K]+ 272.14112 157.0
[M+H-H2O]+ 216.17522 149.2
[M+HCOO]- 278.17616 173.4
[M+CH3COO]- 292.19181 190.1
[M+Na-2H]- 254.15263 159.4
[M]+ 233.17741 152.2
[M]- 233.17851 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe