CID 75716

2563-08-8

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

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

InChI

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

InChIKey

OKBGUIZGNSPYGU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
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]+	237.184906	156.4
[M+Na]+	259.166848	164.1
[M-H]-	235.170354	158.0
[M+NH4]+	254.211453	174.1
[M+K]+	275.140788	161.2
[M+H-H2O]+	219.174890	152.2
[M+HCOO]-	281.175831	173.3
[M+CH3COO]-	295.191481	192.1
[M+Na-2H]-	257.152296	160.2
[M]+	236.17708142	157.9
[M]-	236.17817858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe