CID 5225083

(2-ethylphenyl)methanol

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

CCC1=CC=CC=C1CO

InChI

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

InChIKey

SBUIQTMDIOLKAL-UHFFFAOYSA-N

Compound name

(2-ethylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1336
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]+	137.096096	127.0
[M+Na]+	159.078038	135.0
[M-H]-	135.081544	129.6
[M+NH4]+	154.122643	148.5
[M+K]+	175.051978	132.8
[M+H-H2O]+	119.086080	122.0
[M+HCOO]-	181.087021	150.4
[M+CH3COO]-	195.102671	171.8
[M+Na-2H]-	157.063486	134.2
[M]+	136.08827142	126.9
[M]-	136.08936858	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe