CID 80922

3,4,5-trimethoxytoluene

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

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

InChI

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

InChIKey

KCIZTNZGSBSSRM-UHFFFAOYSA-N

Compound name

1,2,3-trimethoxy-5-methylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 14
References: 3964
Patents: 182.0943 Da
Monoisotopic Mass: 1.8
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]+	183.10158	136.8
[M+Na]+	205.08352	150.4
[M+NH4]+	200.12812	145.3
[M+K]+	221.05746	144.3
[M-H]-	181.08702	138.9
[M+Na-2H]-	203.06897	143.5
[M]+	182.09375	139.4
[M]-	182.09485	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe