CID 3055475

Spiro(benzofuran-2(3h),1'-cyclopropan)-3-one, 5-(dimethylamino)-

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CN(C)C1=CC2=C(C=C1)OC3(C2=O)CC3

InChI

InChI=1S/C12H13NO2/c1-13(2)8-3-4-10-9(7-8)11(14)12(15-10)5-6-12/h3-4,7H,5-6H2,1-2H3

InChIKey

RIHDBQABNXRTIZ-UHFFFAOYSA-N

Compound name

5-(dimethylamino)spiro[1-benzofuran-2,1'-cyclopropane]-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 203.09464 Da
Monoisotopic Mass: 1.9
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]+	204.101916	142.9
[M+Na]+	226.083858	154.2
[M-H]-	202.087364	153.0
[M+NH4]+	221.128463	161.7
[M+K]+	242.057798	153.0
[M+H-H2O]+	186.091900	137.8
[M+HCOO]-	248.092841	166.2
[M+CH3COO]-	262.108491	193.2
[M+Na-2H]-	224.069306	150.2
[M]+	203.09409142	148.3
[M]-	203.09518858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe