CID 6917466

85960-55-0

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

C1[C@@H](O1)CCOCC2=CC=CC=C2

InChI

InChI=1S/C11H14O2/c1-2-4-10(5-3-1)8-12-7-6-11-9-13-11/h1-5,11H,6-9H2/t11-/m0/s1

InChIKey

WEEINLJFNLBGTR-NSHDSACASA-N

Compound name

(2S)-2-(2-phenylmethoxyethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 331
Patents: 178.09938 Da
Monoisotopic Mass: 1.6
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	137.0
[M+Na]+	201.08860	145.7
[M-H]-	177.09210	145.1
[M+NH4]+	196.13320	151.1
[M+K]+	217.06254	144.8
[M+H-H2O]+	161.09664	129.9
[M+HCOO]-	223.09758	161.0
[M+CH3COO]-	237.11323	183.2
[M+Na-2H]-	199.07405	145.7
[M]+	178.09883	142.2
[M]-	178.09993	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe