CID 14979625

3,4,5-trimethylpyrocatechol

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

CC1=CC(=C(C(=C1C)C)O)O

InChI

InChI=1S/C9H12O2/c1-5-4-8(10)9(11)7(3)6(5)2/h4,10-11H,1-3H3

InChIKey

DEIKGXRMQUHZJD-UHFFFAOYSA-N

Compound name

3,4,5-trimethylbenzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 291
Patents: 152.08372 Da
Monoisotopic Mass: 2.3
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]+	153.09100	130.0
[M+Na]+	175.07294	143.6
[M+NH4]+	170.11754	138.5
[M+K]+	191.04688	137.9
[M-H]-	151.07644	131.7
[M+Na-2H]-	173.05839	135.9
[M]+	152.08317	132.4
[M]-	152.08427	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe