CID 96637742

2227907-38-0

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1CO[C@H]2CNC[C@@H]2O1

InChI

InChI=1S/C6H11NO2/c1-2-9-6-4-7-3-5(6)8-1/h5-7H,1-4H2/t5-,6-/m0/s1

InChIKey

HGEIYKJSFPCMLX-WDSKDSINSA-N

Compound name

(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-[1,4]dioxino[2,3-c]pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 129.07898 Da
Monoisotopic Mass: -0.8
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]+	130.08626	125.3
[M+Na]+	152.06820	135.2
[M+NH4]+	147.11280	134.3
[M+K]+	168.04214	132.6
[M-H]-	128.07170	128.5
[M+Na-2H]-	150.05365	127.8
[M]+	129.07843	127.4
[M]-	129.07953	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe