CID 12769

2,3,5-trimethylphenol

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

CC1=CC(=C(C(=C1)O)C)C

InChI

InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3

InChIKey

OGRAOKJKVGDSFR-UHFFFAOYSA-N

Compound name

2,3,5-trimethylphenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 8184
Patents: 136.08882 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]+	137.09610	126.5
[M+Na]+	159.07804	140.7
[M+NH4]+	154.12264	135.9
[M+K]+	175.05198	134.0
[M-H]-	135.08154	129.1
[M+Na-2H]-	157.06349	133.7
[M]+	136.08827	129.3
[M]-	136.08937	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe