CID 84201

2,4,6-trimethoxytoluene

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CC1=C(C=C(C=C1OC)OC)OC

InChI

InChI=1S/C10H14O3/c1-7-9(12-3)5-8(11-2)6-10(7)13-4/h5-6H,1-4H3

InChIKey

TZPKFPYZCMHDHL-UHFFFAOYSA-N

Compound name

1,3,5-trimethoxy-2-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3504
Patents: 182.0943 Da
Monoisotopic Mass: 2.2
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]+	183.101576	135.8
[M+Na]+	205.083518	145.6
[M-H]-	181.087024	140.4
[M+NH4]+	200.128123	156.7
[M+K]+	221.057458	145.2
[M+H-H2O]+	165.091560	130.4
[M+HCOO]-	227.092501	160.8
[M+CH3COO]-	241.108151	183.9
[M+Na-2H]-	203.068966	141.6
[M]+	182.09375142	141.7
[M]-	182.09484858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe