CID 90235540

Rac-(4ar,7ar)-hexahydro-2h-furo[3,4-b][1,4]oxazine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1CO[C@H]2COC[C@@H]2N1

InChI

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

InChIKey

SZMLYSKHAGRUFH-WDSKDSINSA-N

Compound name

(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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]+	130.086256	124.0
[M+Na]+	152.068198	129.6
[M-H]-	128.071704	126.0
[M+NH4]+	147.112803	143.8
[M+K]+	168.042138	130.5
[M+H-H2O]+	112.076240	118.6
[M+HCOO]-	174.077181	140.1
[M+CH3COO]-	188.092831	136.8
[M+Na-2H]-	150.053646	131.5
[M]+	129.07843142	119.3
[M]-	129.07952858	119.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe