CID 7731

4-methylanisole

Structural Information

Molecular Formula

C₈H₁₀O

SMILES

CC1=CC=C(C=C1)OC

InChI

InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3

InChIKey

CHLICZRVGGXEOD-UHFFFAOYSA-N

Compound name

1-methoxy-4-methylbenzene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 150
References: 69897
Patents: 122.073166 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]+	123.08044	122.2
[M+Na]+	145.06238	136.4
[M+NH4]+	140.10699	132.2
[M+K]+	161.03632	129.3
[M-H]-	121.06589	125.4
[M+Na-2H]-	143.04783	130.8
[M]+	122.07262	125.2
[M]-	122.07371	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe