CID 102865

2653-39-6

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

C=CC1=CC=C(C=C1)OCC2CO2

InChI

InChI=1S/C11H12O2/c1-2-9-3-5-10(6-4-9)12-7-11-8-13-11/h2-6,11H,1,7-8H2

InChIKey

AAUXVPAKDMCMMN-UHFFFAOYSA-N

Compound name

2-[(4-ethenylphenoxy)methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 772
Patents: 176.08372 Da
Monoisotopic Mass: 2.4
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]+	177.09100	135.9
[M+Na]+	199.07294	145.7
[M-H]-	175.07644	144.4
[M+NH4]+	194.11754	150.2
[M+K]+	215.04688	144.2
[M+H-H2O]+	159.08098	129.1
[M+HCOO]-	221.08192	160.0
[M+CH3COO]-	235.09757	183.5
[M+Na-2H]-	197.05839	143.9
[M]+	176.08317	140.8
[M]-	176.08427	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe