CID 146683879

Anaephene c

Structural Information

Molecular Formula

C₁₅H₂₀O

SMILES

CCC/C=C/C=C/CCC1=CC(=CC=C1)O

InChI

InChI=1S/C15H20O/c1-2-3-4-5-6-7-8-10-14-11-9-12-15(16)13-14/h4-7,9,11-13,16H,2-3,8,10H2,1H3/b5-4+,7-6+

InChIKey

WQIFRGNDJXGCFI-YTXTXJHMSA-N

Compound name

3-[(3E,5E)-nona-3,5-dienyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 216.15141 Da
Monoisotopic Mass: 4.8
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]+	217.158686	152.4
[M+Na]+	239.140628	158.6
[M-H]-	215.144134	154.0
[M+NH4]+	234.185233	170.7
[M+K]+	255.114568	153.6
[M+H-H2O]+	199.148670	146.4
[M+HCOO]-	261.149611	174.2
[M+CH3COO]-	275.165261	186.9
[M+Na-2H]-	237.126076	156.3
[M]+	216.15086142	152.9
[M]-	216.15195858	152.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.