CID 67834625

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

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

C1CC2(CNC1)C3=CC=CC=C3CO2

InChI

InChI=1S/C12H15NO/c1-2-5-11-10(4-1)8-14-12(11)6-3-7-13-9-12/h1-2,4-5,13H,3,6-9H2

InChIKey

KCAMDBNDUHBEBH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 189.11537 Da
Monoisotopic Mass: 1.1
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]+	190.122646	141.1
[M+Na]+	212.104588	147.3
[M-H]-	188.108094	144.9
[M+NH4]+	207.149193	162.1
[M+K]+	228.078528	144.4
[M+H-H2O]+	172.112630	134.3
[M+HCOO]-	234.113571	157.6
[M+CH3COO]-	248.129221	153.1
[M+Na-2H]-	210.090036	148.2
[M]+	189.11482142	135.0
[M]-	189.11591858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe