CID 118555788

1588503-31-4

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

C1CNC[C@H]2[C@@H]1NC(=O)O2

InChI

InChI=1S/C6H10N2O2/c9-6-8-4-1-2-7-3-5(4)10-6/h4-5,7H,1-3H2,(H,8,9)/t4-,5+/m1/s1

InChIKey

JCJXPQUDQXMSLG-UHNVWZDZSA-N

Compound name

(3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 142.07423 Da
Monoisotopic Mass: -0.4
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]+	143.081506	128.6
[M+Na]+	165.063448	134.9
[M-H]-	141.066954	127.5
[M+NH4]+	160.108053	147.3
[M+K]+	181.037388	133.3
[M+H-H2O]+	125.071490	122.4
[M+HCOO]-	187.072431	143.0
[M+CH3COO]-	201.088081	140.3
[M+Na-2H]-	163.048896	133.9
[M]+	142.07368142	121.7
[M]-	142.07477858	121.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.