CID 6943

2-isopropylphenol

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

CC(C)C1=CC=CC=C1O

InChI

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

InChIKey

CRBJBYGJVIBWIY-UHFFFAOYSA-N

Compound name

2-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 27
References: 20211
Patents: 136.08882 Da
Monoisotopic Mass: 2.9
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	127.2
[M+Na]+	159.07804	134.9
[M-H]-	135.08154	129.9
[M+NH4]+	154.12264	148.7
[M+K]+	175.05198	133.2
[M+H-H2O]+	119.08608	122.3
[M+HCOO]-	181.08702	149.6
[M+CH3COO]-	195.10267	172.7
[M+Na-2H]-	157.06349	133.1
[M]+	136.08827	126.5
[M]-	136.08937	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe