CID 54775800

1011301-86-2

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: 12
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	135.1
[M+Na]+	185.09368	142.7
[M-H]-	161.09718	137.4
[M+NH4]+	180.13828	155.6
[M+K]+	201.06762	139.3
[M+H-H2O]+	145.10172	129.9
[M+HCOO]-	207.10266	158.1
[M+CH3COO]-	221.11831	176.3
[M+Na-2H]-	183.07913	141.2
[M]+	162.10391	135.0
[M]-	162.10501	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe