CID 88555

2,3,5-trimethylanisole

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC1=CC(=C(C(=C1)OC)C)C

InChI

InChI=1S/C10H14O/c1-7-5-8(2)9(3)10(6-7)11-4/h5-6H,1-4H3

InChIKey

AWONIZVBKXHWJP-UHFFFAOYSA-N

Compound name

1-methoxy-2,3,5-trimethylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1804
Patents: 150.10446 Da
Monoisotopic Mass: 3.0
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]+	151.111736	129.0
[M+Na]+	173.093678	138.9
[M-H]-	149.097184	133.7
[M+NH4]+	168.138283	151.4
[M+K]+	189.067618	137.6
[M+H-H2O]+	133.101720	124.2
[M+HCOO]-	195.102661	153.6
[M+CH3COO]-	209.118311	179.9
[M+Na-2H]-	171.079126	134.9
[M]+	150.10391142	132.0
[M]-	150.10500858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe