CID 132327572

2126143-68-6

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1C[C@]2([C@@H]1CCN2)C3=CC=CO3

InChI

InChI=1S/C10H13NO/c1-2-9(12-7-1)10-5-3-8(10)4-6-11-10/h1-2,7-8,11H,3-6H2/t8-,10-/m0/s1

InChIKey

NWARMJFBEFUNJK-WPRPVWTQSA-N

Compound name

(1S,5S)-1-(furan-2-yl)-2-azabicyclo[3.2.0]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.09972 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]+	164.106996	128.0
[M+Na]+	186.088938	134.1
[M-H]-	162.092444	133.7
[M+NH4]+	181.133543	145.2
[M+K]+	202.062878	135.2
[M+H-H2O]+	146.096980	118.9
[M+HCOO]-	208.097921	147.3
[M+CH3COO]-	222.113571	141.3
[M+Na-2H]-	184.074386	134.0
[M]+	163.09917142	134.1
[M]-	163.10026858	134.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.