CID 11073394

(2s,3r)-2,3-diaminobutanoic acid

Structural Information

Molecular Formula

C₄H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3+/m1/s1

InChIKey

SXGMVGOVILIERA-GBXIJSLDSA-N

Compound name

(2S,3R)-2,3-diaminobutanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 47
Patents: 118.07423 Da
Monoisotopic Mass: -3.2
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]+	119.08151	125.3
[M+Na]+	141.06345	130.7
[M-H]-	117.06695	123.5
[M+NH4]+	136.10805	145.6
[M+K]+	157.03739	131.0
[M+H-H2O]+	101.07149	120.3
[M+HCOO]-	163.07243	146.6
[M+CH3COO]-	177.08808	172.8
[M+Na-2H]-	139.04890	127.0
[M]+	118.07368	120.3
[M]-	118.07478	120.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe