CID 55288586

134275-07-3

Structural Information

Molecular Formula

C₅H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C5H12N2O2/c1-9-5(8)4(7)2-3-6/h4H,2-3,6-7H2,1H3/t4-/m0/s1

InChIKey

MWFJEMDAQUMOKD-BYPYZUCNSA-N

Compound name

methyl (2S)-2,4-diaminobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 132.08987 Da
Monoisotopic Mass: -1.3
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]+	133.09715	128.8
[M+Na]+	155.07909	134.6
[M-H]-	131.08259	128.2
[M+NH4]+	150.12369	149.5
[M+K]+	171.05303	135.1
[M+H-H2O]+	115.08713	123.4
[M+HCOO]-	177.08807	152.4
[M+CH3COO]-	191.10372	176.7
[M+Na-2H]-	153.06454	132.0
[M]+	132.08932	126.7
[M]-	132.09042	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe