CID 75966

Isopropoxybenzene

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

CC(C)OC1=CC=CC=C1

InChI

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

InChIKey

ZYNMJJNWXVKJJV-UHFFFAOYSA-N

Compound name

propan-2-yloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 12184
Patents: 136.08882 Da
Monoisotopic Mass: 2.3
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	127.3
[M+Na]+	159.07804	134.5
[M-H]-	135.08154	131.0
[M+NH4]+	154.12264	149.1
[M+K]+	175.05198	133.7
[M+H-H2O]+	119.08608	121.9
[M+HCOO]-	181.08702	151.1
[M+CH3COO]-	195.10267	174.3
[M+Na-2H]-	157.06349	134.4
[M]+	136.08827	128.0
[M]-	136.08937	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe