CID 13329537

95449-72-2

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1CC12C(C3=CC=CC=C3O2)O

InChI

InChI=1S/C10H10O2/c11-9-7-3-1-2-4-8(7)12-10(9)5-6-10/h1-4,9,11H,5-6H2

InChIKey

SISXPOBALIPOJR-UHFFFAOYSA-N

Compound name

spiro[3H-1-benzofuran-2,1'-cyclopropane]-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 162.06808 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]+	163.07536	130.8
[M+Na]+	185.05730	142.2
[M-H]-	161.06080	138.2
[M+NH4]+	180.10190	150.0
[M+K]+	201.03124	140.3
[M+H-H2O]+	145.06534	126.4
[M+HCOO]-	207.06628	151.8
[M+CH3COO]-	221.08193	145.3
[M+Na-2H]-	183.04275	139.8
[M]+	162.06753	133.5
[M]-	162.06863	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe