CID 118944408

2219370-80-4

Structural Information

Molecular Formula

SMILES

C1CNCC2C1OC(=O)O2

InChI

InChI=1S/C6H9NO3/c8-6-9-4-1-2-7-3-5(4)10-6/h4-5,7H,1-3H2

InChIKey

NTOJWHDZDGQWAD-UHFFFAOYSA-N

Compound name

3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 143.05824 Da
Monoisotopic Mass: 0.1
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]+	144.065516	125.7
[M+Na]+	166.047458	132.5
[M-H]-	142.050964	128.1
[M+NH4]+	161.092063	145.1
[M+K]+	182.021398	133.2
[M+H-H2O]+	126.055500	120.6
[M+HCOO]-	188.056441	142.2
[M+CH3COO]-	202.072091	167.8
[M+Na-2H]-	164.032906	132.7
[M]+	143.05769142	122.2
[M]-	143.05878858	122.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe