CID 22012187

3h-spiro[2-benzofuran-1,3'-pyrrolidine]

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

C1CNCC12C3=CC=CC=C3CO2

InChI

InChI=1S/C11H13NO/c1-2-4-10-9(3-1)7-13-11(10)5-6-12-8-11/h1-4,12H,5-8H2

InChIKey

CFCYRDQMSMOQMZ-UHFFFAOYSA-N

Compound name

spiro[1H-2-benzofuran-3,3'-pyrrolidine]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 175.09972 Da
Monoisotopic Mass: 0.7
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]+	176.106996	137.3
[M+Na]+	198.088938	144.9
[M-H]-	174.092444	141.7
[M+NH4]+	193.133543	160.8
[M+K]+	214.062878	142.3
[M+H-H2O]+	158.096980	131.6
[M+HCOO]-	220.097921	156.3
[M+CH3COO]-	234.113571	150.4
[M+Na-2H]-	196.074386	143.2
[M]+	175.09917142	133.2
[M]-	175.10026858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe