CID 74446

4-isopropyl-2-methylphenol

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC1=C(C=CC(=C1)C(C)C)O

InChI

InChI=1S/C10H14O/c1-7(2)9-4-5-10(11)8(3)6-9/h4-7,11H,1-3H3

InChIKey

WYXXLXHHWYNKJF-UHFFFAOYSA-N

Compound name

2-methyl-4-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23407
Patents: 150.10446 Da
Monoisotopic Mass: 3.1
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]+	151.11174	131.0
[M+Na]+	173.09368	139.3
[M-H]-	149.09718	133.9
[M+NH4]+	168.13828	152.3
[M+K]+	189.06762	137.3
[M+H-H2O]+	133.10172	126.2
[M+HCOO]-	195.10266	153.0
[M+CH3COO]-	209.11831	176.9
[M+Na-2H]-	171.07913	135.7
[M]+	150.10391	131.0
[M]-	150.10501	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe