CID 95542

Benzeneethanol, beta-ethyl-

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CCC(CO)C1=CC=CC=C1

InChI

InChI=1S/C10H14O/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3

InChIKey

DNHNBMQCHKKDNI-UHFFFAOYSA-N

Compound name

2-phenylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 957
Patents: 150.10446 Da
Monoisotopic Mass: 2.2
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]+	151.11174	132.7
[M+Na]+	173.09368	139.1
[M-H]-	149.09718	134.8
[M+NH4]+	168.13828	153.3
[M+K]+	189.06762	137.0
[M+H-H2O]+	133.10172	127.4
[M+HCOO]-	195.10266	154.8
[M+CH3COO]-	209.11831	174.6
[M+Na-2H]-	171.07913	138.8
[M]+	150.10391	131.9
[M]-	150.10501	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe