CID 5319544

50423-14-8

Structural Information

Molecular Formula

C₂₂H₃₄O₂

SMILES

CCC/C=C\C/C=C\CCCCCCCC1=CC(=C(C(=C1)O)C)O

InChI

InChI=1S/C22H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19(2)22(24)18-20/h5-6,8-9,17-18,23-24H,3-4,7,10-16H2,1-2H3/b6-5-,9-8-

InChIKey

IZGYQWUVUWZOPQ-AFJQJTPPSA-N

Compound name

2-methyl-5-[(8Z,11Z)-pentadeca-8,11-dienyl]benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1
Patents: 330.2559 Da
Monoisotopic Mass: 7.8
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]+	331.26318	186.7
[M+Na]+	353.24512	191.2
[M-H]-	329.24862	186.2
[M+NH4]+	348.28972	200.1
[M+K]+	369.21906	184.2
[M+H-H2O]+	313.25316	179.7
[M+HCOO]-	375.25410	204.7
[M+CH3COO]-	389.26975	209.8
[M+Na-2H]-	351.23057	184.9
[M]+	330.25535	190.1
[M]-	330.25645	190.1

Literature stripe

literature stripe

Patent stripe

patents stripe