CID 33706

27129-87-9

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

CC1=CC(=CC(=C1)CO)C

InChI

InChI=1S/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H3

InChIKey

IQWWTJDRVBWBEL-UHFFFAOYSA-N

Compound name

(3,5-dimethylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1045
Patents: 136.08882 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]+	137.09610	126.8
[M+Na]+	159.07804	140.7
[M+NH4]+	154.12264	136.3
[M+K]+	175.05198	133.8
[M-H]-	135.08154	129.5
[M+Na-2H]-	157.06349	134.3
[M]+	136.08827	129.6
[M]-	136.08937	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe