CID 10351986

171436-10-5

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1COC2=C1C=C(C=C2)C3CO3

InChI

InChI=1S/C10H10O2/c1-2-9-8(3-4-11-9)5-7(1)10-6-12-10/h1-2,5,10H,3-4,6H2

InChIKey

NKHQYVMALMRRIA-UHFFFAOYSA-N

Compound name

5-(oxiran-2-yl)-2,3-dihydro-1-benzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.06808 Da
Monoisotopic Mass: 1.4
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]+	163.07536	129.0
[M+Na]+	185.05730	139.6
[M-H]-	161.06080	139.0
[M+NH4]+	180.10190	145.3
[M+K]+	201.03124	139.4
[M+H-H2O]+	145.06534	123.4
[M+HCOO]-	207.06628	151.0
[M+CH3COO]-	221.08193	143.9
[M+Na-2H]-	183.04275	137.9
[M]+	162.06753	133.1
[M]-	162.06863	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.