CID 7019936

N-(2-aminobutanoyl)glycine

Structural Information

Molecular Formula

C₆H₁₂N₂O₃

SMILES

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

InChI

InChI=1S/C6H12N2O3/c1-2-4(7)6(11)8-3-5(9)10/h4H,2-3,7H2,1H3,(H,8,11)(H,9,10)/t4-/m0/s1

InChIKey

SVHUWZOIWWJJJM-BYPYZUCNSA-N

Compound name

2-[[(2S)-2-aminobutanoyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 160.0848 Da
Monoisotopic Mass: -3.1
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]+	161.09208	135.2
[M+Na]+	183.07402	140.9
[M+NH4]+	178.11862	140.3
[M+K]+	199.04796	139.2
[M-H]-	159.07752	132.7
[M+Na-2H]-	181.05947	135.7
[M]+	160.08425	134.5
[M]-	160.08535	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe