CID 6440454

72629-62-0

Structural Information

Molecular Formula

C₂₀H₃₂O₂

SMILES

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

InChI

InChI=1S/C20H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-15-19(21)17(2)20(22)16-18/h6-7,15-16,21-22H,3-5,8-14H2,1-2H3/b7-6-

InChIKey

AAFWHAONVYRTMW-SREVYHEPSA-N

Compound name

2-methyl-5-[(Z)-tridec-8-enyl]benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 304.24023 Da
Monoisotopic Mass: 7.4
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]+	305.247506	179.1
[M+Na]+	327.229448	184.0
[M-H]-	303.232954	178.9
[M+NH4]+	322.274053	193.6
[M+K]+	343.203388	178.1
[M+H-H2O]+	287.237490	172.4
[M+HCOO]-	349.238431	197.6
[M+CH3COO]-	363.254081	205.3
[M+Na-2H]-	325.214896	178.3
[M]+	304.23968142	182.5
[M]-	304.24077858	182.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.