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: 53
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	126.4
[M+Na]+	143.07909	131.3
[M-H]-	119.08260	123.0
[M+NH4]+	138.12370	146.1
[M+K]+	159.05303	130.8
[M+H-H2O]+	103.08713	121.4
[M+HCOO]-	165.08808	147.0
[M+CH3COO]-	179.10372	170.4
[M+Na-2H]-	141.06454	128.9
[M]+	120.08933	120.9
[M]-	120.09042	120.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe