CID 5310971

178419-45-9

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

C1CN2CCC1[C@@]3(C2)CNC(=O)O3

InChI

InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)/t9-/m0/s1

InChIKey

TYAGAVRSOFABFO-VIFPVBQESA-N

Compound name

(5S)-spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 38
References: 224
Patents: 182.10553 Da
Monoisotopic Mass: 0.2
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]+	183.11281	134.5
[M+Na]+	205.09475	139.4
[M-H]-	181.09825	130.6
[M+NH4]+	200.13935	157.7
[M+K]+	221.06869	137.7
[M+H-H2O]+	165.10279	128.2
[M+HCOO]-	227.10373	142.1
[M+CH3COO]-	241.11938	144.7
[M+Na-2H]-	203.08020	144.4
[M]+	182.10498	132.3
[M]-	182.10608	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe