CID 5463755

723-38-6

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CC1=CC(=C(C=C1O)C(C)(C)CC(C)(C)C)O

InChI

InChI=1S/C15H24O2/c1-10-7-13(17)11(8-12(10)16)15(5,6)9-14(2,3)4/h7-8,16-17H,9H2,1-6H3

InChIKey

BSJQLOWJGYMBFP-UHFFFAOYSA-N

Compound name

2-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 686
Patents: 236.17763 Da
Monoisotopic Mass: 5.0
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]+	237.18491	156.4
[M+Na]+	259.16685	164.1
[M-H]-	235.17035	158.0
[M+NH4]+	254.21145	174.1
[M+K]+	275.14079	161.2
[M+H-H2O]+	219.17489	152.2
[M+HCOO]-	281.17583	173.3
[M+CH3COO]-	295.19148	192.1
[M+Na-2H]-	257.15230	160.2
[M]+	236.17708	157.9
[M]-	236.17818	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe