CID 180498

Nu-804

Structural Information

Molecular Formula

C₁₅H₂₃NO

SMILES

CCCCN1CCC(CC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C15H23NO/c1-2-3-11-16-12-9-15(17,10-13-16)14-7-5-4-6-8-14/h4-8,17H,2-3,9-13H2,1H3

InChIKey

CVVDHHMAXPKETH-UHFFFAOYSA-N

Compound name

1-butyl-4-phenylpiperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 233.17796 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	234.18524	157.2
[M+Na]+	256.16718	161.7
[M-H]-	232.17068	160.1
[M+NH4]+	251.21178	174.7
[M+K]+	272.14112	158.0
[M+H-H2O]+	216.17522	149.5
[M+HCOO]-	278.17616	174.4
[M+CH3COO]-	292.19181	188.8
[M+Na-2H]-	254.15263	161.6
[M]+	233.17741	153.1
[M]-	233.17851	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe