CID 99719250

1310377-81-1

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

C1CN[C@H]2COC[C@H]2N1

InChI

InChI=1S/C6H12N2O/c1-2-8-6-4-9-3-5(6)7-1/h5-8H,1-4H2/t5-,6+

InChIKey

UWVLUGCGRVTZKF-OLQVQODUSA-N

Compound name

(4aR,7aS)-1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 128.09496 Da
Monoisotopic Mass: -1.1
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]+	129.10224	126.5
[M+Na]+	151.08418	131.7
[M-H]-	127.08768	125.0
[M+NH4]+	146.12878	145.6
[M+K]+	167.05812	130.2
[M+H-H2O]+	111.09222	120.1
[M+HCOO]-	173.09316	140.5
[M+CH3COO]-	187.10881	137.9
[M+Na-2H]-	149.06963	132.4
[M]+	128.09441	118.4
[M]-	128.09551	118.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe