CID 9899050

Asn-gly

Structural Information

Molecular Formula

C₆H₁₁N₃O₄

SMILES

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

InChI

InChI=1S/C6H11N3O4/c7-3(1-4(8)10)6(13)9-2-5(11)12/h3H,1-2,7H2,(H2,8,10)(H,9,13)(H,11,12)/t3-/m0/s1

InChIKey

KLKHFFMNGWULBN-VKHMYHEASA-N

Compound name

2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26493
Patents: 189.07495 Da
Monoisotopic Mass: -5.2
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]+	190.08223	141.0
[M+Na]+	212.06417	144.3
[M+NH4]+	207.10877	144.3
[M+K]+	228.03811	144.5
[M-H]-	188.06767	137.5
[M+Na-2H]-	210.04962	139.8
[M]+	189.07440	139.4
[M]-	189.07550	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe