CID 7465

4-isopropylphenol

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

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

InChI

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

InChIKey

YQUQWHNMBPIWGK-UHFFFAOYSA-N

Compound name

4-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 47
References: 16467
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]+	137.096096	127.2
[M+Na]+	159.078038	134.9
[M-H]-	135.081544	129.9
[M+NH4]+	154.122643	148.7
[M+K]+	175.051978	133.2
[M+H-H2O]+	119.086080	122.3
[M+HCOO]-	181.087021	149.6
[M+CH3COO]-	195.102671	172.7
[M+Na-2H]-	157.063486	133.1
[M]+	136.08827142	126.5
[M]-	136.08936858	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe