CID 58648761

Rac-(3r,4r)-oxane-3,4-diamine

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

C1COC[C@@H]([C@@H]1N)N

InChI

InChI=1S/C5H12N2O/c6-4-1-2-8-3-5(4)7/h4-5H,1-3,6-7H2/t4-,5+/m1/s1

InChIKey

XCTKAHMUXCKXID-UHNVWZDZSA-N

Compound name

(3R,4R)-oxane-3,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 116.09496 Da
Monoisotopic Mass: -1.5
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]+	117.10224	122.9
[M+Na]+	139.08418	132.0
[M+NH4]+	134.12878	131.6
[M+K]+	155.05812	127.7
[M-H]-	115.08768	126.9
[M+Na-2H]-	137.06963	127.2
[M]+	116.09441	125.0
[M]-	116.09551	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe