CID 27809

16308-92-2

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

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

InChI

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

InChIKey

QUIMJTKRVOBTQN-UHFFFAOYSA-N

Compound name

(2,4-dimethylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2091
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	126.2
[M+Na]+	159.07804	135.2
[M-H]-	135.08154	129.2
[M+NH4]+	154.12264	148.1
[M+K]+	175.05198	133.0
[M+H-H2O]+	119.08608	121.6
[M+HCOO]-	181.08702	149.6
[M+CH3COO]-	195.10267	172.9
[M+Na-2H]-	157.06349	132.8
[M]+	136.08827	126.5
[M]-	136.08937	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe