CID 78153

2-isopropyl-4-methylphenol

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

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

InChI

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

InChIKey

DSTPUJAJSXTJHM-UHFFFAOYSA-N

Compound name

4-methyl-2-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1299
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	131.7
[M+Na]+	173.09368	145.0
[M+NH4]+	168.13828	140.9
[M+K]+	189.06762	138.7
[M-H]-	149.09718	134.1
[M+Na-2H]-	171.07913	138.5
[M]+	150.10391	134.3
[M]-	150.10501	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe