CID 6446243

2-pyridinemethanol, alpha-methyl-alpha-(2-phenylethenyl)-, (z)-

Structural Information

Molecular Formula

C₁₅H₁₅NO

SMILES

CC(/C=C\C1=CC=CC=C1)(C2=CC=CC=N2)O

InChI

InChI=1S/C15H15NO/c1-15(17,14-9-5-6-12-16-14)11-10-13-7-3-2-4-8-13/h2-12,17H,1H3/b11-10-

InChIKey

RIBCORSTVFXNDE-KHPPLWFESA-N

Compound name

(Z)-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.11537 Da
Monoisotopic Mass: 2.5
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]+	226.122646	152.2
[M+Na]+	248.104588	158.8
[M-H]-	224.108094	155.8
[M+NH4]+	243.149193	168.0
[M+K]+	264.078528	153.9
[M+H-H2O]+	208.112630	144.6
[M+HCOO]-	270.113571	172.3
[M+CH3COO]-	284.129221	186.0
[M+Na-2H]-	246.090036	160.0
[M]+	225.11482142	150.4
[M]-	225.11591858	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.