CID 134490

1758-80-1

Structural Information

Molecular Formula

C₄H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1

InChIKey

OGNSCSPNOLGXSM-VKHMYHEASA-N

Compound name

(2S)-2,4-diaminobutanoic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 245
References: 102182
Patents: 118.07423 Da
Monoisotopic Mass: -4.6
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	124.6
[M+Na]+	141.06345	130.2
[M-H]-	117.06695	122.7
[M+NH4]+	136.10805	145.0
[M+K]+	157.03739	130.0
[M+H-H2O]+	101.07149	119.5
[M+HCOO]-	163.07243	146.9
[M+CH3COO]-	177.08808	171.8
[M+Na-2H]-	139.04890	127.7
[M]+	118.07368	120.3
[M]-	118.07478	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe