CID 5315892

Cinnamyl alcohol

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

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

InChI

InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+

InChIKey

OOCCDEMITAIZTP-QPJJXVBHSA-N

Compound name

(E)-3-phenylprop-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 487
References: 33301
Patents: 134.07317 Da
Monoisotopic Mass: 1.9
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]+	135.08045	127.4
[M+Na]+	157.06239	140.5
[M+NH4]+	152.10699	136.5
[M+K]+	173.03633	133.1
[M-H]-	133.06589	129.7
[M+Na-2H]-	155.04784	135.1
[M]+	134.07262	129.9
[M]-	134.07372	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe