CID 11008492

Cis-4-benzyloxy-2-buten-1-ol

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

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

InChI

InChI=1S/C11H14O2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-7,12H,8-10H2/b5-4-

InChIKey

CGLJRLXTVXHOLX-PLNGDYQASA-N

Compound name

(Z)-4-phenylmethoxybut-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 81
Patents: 178.09938 Da
Monoisotopic Mass: 1.2
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]+	179.10666	139.7
[M+Na]+	201.08860	151.9
[M+NH4]+	196.13320	147.9
[M+K]+	217.06254	144.5
[M-H]-	177.09210	141.3
[M+Na-2H]-	199.07405	146.4
[M]+	178.09883	141.8
[M]-	178.09993	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe