CID 75370

2-isopropylhydroquinone

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

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

InChI

InChI=1S/C9H12O2/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6,10-11H,1-2H3

InChIKey

HIGSPBFIOSHWQG-UHFFFAOYSA-N

Compound name

2-propan-2-ylbenzene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 4110
Patents: 152.08372 Da
Monoisotopic Mass: 2.2
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]+	153.09100	130.9
[M+Na]+	175.07294	143.4
[M+NH4]+	170.11754	139.3
[M+K]+	191.04688	138.1
[M-H]-	151.07644	132.3
[M+Na-2H]-	173.05839	136.9
[M]+	152.08317	133.0
[M]-	152.08427	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe