CID 92712

Einecs 260-627-2

Structural Information

Molecular Formula

C₂₂H₃₈O₂

SMILES

CC(C)CCCCCC1=CC(=CC(=C1O)CCCCCC(C)C)O

InChI

InChI=1S/C22H38O2/c1-17(2)11-7-5-9-13-19-15-21(23)16-20(22(19)24)14-10-6-8-12-18(3)4/h15-18,23-24H,5-14H2,1-4H3

InChIKey

ZIASSHGVJYKYSN-UHFFFAOYSA-N

Compound name

2,6-bis(6-methylheptyl)benzene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 334.28717 Da
Monoisotopic Mass: 8.7
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]+	335.294446	190.0
[M+Na]+	357.276388	193.2
[M-H]-	333.279894	189.5
[M+NH4]+	352.320993	203.1
[M+K]+	373.250328	188.5
[M+H-H2O]+	317.284430	183.1
[M+HCOO]-	379.285371	205.6
[M+CH3COO]-	393.301021	214.4
[M+Na-2H]-	355.261836	185.6
[M]+	334.28662142	193.7
[M]-	334.28771858	193.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe