CID 11073400

Meso-1,4-diamino-2,3-butanediol dihydrochloride

Structural Information

Molecular Formula

C₄H₁₂N₂O₂

SMILES

C([C@H]([C@H](CN)O)O)N

InChI

InChI=1S/C4H12N2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2,5-6H2/t3-,4+

InChIKey

HYXRUUHQXNAFAJ-ZXZARUISSA-N

Compound name

(2S,3R)-1,4-diaminobutane-2,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 120.089874 Da
Monoisotopic Mass: -2.9
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]+	121.09715	124.5
[M+Na]+	143.07909	130.5
[M+NH4]+	138.12370	130.7
[M+K]+	159.05303	128.6
[M-H]-	119.08260	122.7
[M+Na-2H]-	141.06454	125.6
[M]+	120.08933	124.2
[M]-	120.09042	124.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe