CID 11804688

(3r,4r)-tetrahydrofuran-3,4-diamine

Structural Information

Molecular Formula

C₄H₁₀N₂O

SMILES

C1[C@H]([C@@H](CO1)N)N

InChI

InChI=1S/C4H10N2O/c5-3-1-7-2-4(3)6/h3-4H,1-2,5-6H2/t3-,4-/m1/s1

InChIKey

VPSJSRRUXSUNFA-QWWZWVQMSA-N

Compound name

(3S,4S)-oxolane-3,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 270
Patents: 102.079315 Da
Monoisotopic Mass: -1.9
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]+	103.08659	118.6
[M+Na]+	125.06853	125.1
[M-H]-	101.07204	121.8
[M+NH4]+	120.11314	141.0
[M+K]+	141.04247	125.5
[M+H-H2O]+	85.076575	113.3
[M+HCOO]-	147.07752	142.5
[M+CH3COO]-	161.09317	168.4
[M+Na-2H]-	123.05398	123.9
[M]+	102.07877	113.2
[M]-	102.07986	113.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe