CID 12059

3-isopropylphenol

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

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

InChI

InChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3

InChIKey

VLJSLTNSFSOYQR-UHFFFAOYSA-N

Compound name

3-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 9
References: 4999
Patents: 136.08882 Da
Monoisotopic Mass: 2.7
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]+	137.09610	127.6
[M+Na]+	159.07804	140.7
[M+NH4]+	154.12264	136.9
[M+K]+	175.05198	134.4
[M-H]-	135.08154	130.0
[M+Na-2H]-	157.06349	134.9
[M]+	136.08827	130.2
[M]-	136.08937	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe