CID 69749

719-03-9

Structural Information

Molecular Formula

C₁₄H₂₂O₂

SMILES

CC(C)(C)CC(C)(C)C1=C(C=CC(=C1)O)O

InChI

InChI=1S/C14H22O2/c1-13(2,3)9-14(4,5)11-8-10(15)6-7-12(11)16/h6-8,15-16H,9H2,1-5H3

InChIKey

RDMIJQCFPQDYQN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 598
Patents: 222.16199 Da
Monoisotopic Mass: 4.6
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]+	223.16927	152.8
[M+Na]+	245.15121	160.0
[M-H]-	221.15471	154.2
[M+NH4]+	240.19581	170.7
[M+K]+	261.12515	157.3
[M+H-H2O]+	205.15925	148.5
[M+HCOO]-	267.16019	170.0
[M+CH3COO]-	281.17584	187.8
[M+Na-2H]-	243.13666	157.7
[M]+	222.16144	153.5
[M]-	222.16254	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe