CID 54775800

3-(4-ethylphenyl)prop-2-en-1-ol

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

CCC1=CC=C(C=C1)/C=C/CO

InChI

InChI=1S/C11H14O/c1-2-10-5-7-11(8-6-10)4-3-9-12/h3-8,12H,2,9H2,1H3/b4-3+

InChIKey

YHTRWYSKMHZKOT-ONEGZZNKSA-N

Compound name

(E)-3-(4-ethylphenyl)prop-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 162.10446 Da
Monoisotopic Mass: 2.5
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]+	163.11174	135.9
[M+Na]+	185.09368	149.0
[M+NH4]+	180.13828	144.7
[M+K]+	201.06762	141.3
[M-H]-	161.09718	138.1
[M+Na-2H]-	183.07913	142.9
[M]+	162.10391	138.4
[M]-	162.10501	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe