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

7
Annotation Hits: 151
References: 106844
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	121.4
[M+Na]+	145.06238	130.2
[M-H]-	121.06589	125.6
[M+NH4]+	140.10699	144.2
[M+K]+	161.03632	129.3
[M+H-H2O]+	105.07043	116.4
[M+HCOO]-	167.07137	146.6
[M+CH3COO]-	181.08702	171.5
[M+Na-2H]-	143.04783	129.7
[M]+	122.07262	122.8
[M]-	122.07371	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe