CID 15723

Azacyclonol

Structural Information

Molecular Formula

C₁₈H₂₁NO

SMILES

C1CNCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2

InChIKey

ZMISODWVFHHWNR-UHFFFAOYSA-N

Compound name

diphenyl(piperidin-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 115
References: 1429
Patents: 267.16232 Da
Monoisotopic Mass: 2.9
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]+	268.169596	163.5
[M+Na]+	290.151538	166.1
[M-H]-	266.155044	167.5
[M+NH4]+	285.196143	175.9
[M+K]+	306.125478	160.1
[M+H-H2O]+	250.159580	154.7
[M+HCOO]-	312.160521	177.8
[M+CH3COO]-	326.176171	172.2
[M+Na-2H]-	288.136986	168.8
[M]+	267.16177142	154.7
[M]-	267.16286858	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe