CID 5487001

Alanyllactate zwitterion

Structural Information

Molecular Formula

C₆H₁₁NO₄

SMILES

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

InChI

InChI=1S/C6H11NO4/c1-3(7)6(10)11-4(2)5(8)9/h3-4H,7H2,1-2H3,(H,8,9)/t3-,4-/m1/s1

InChIKey

QLYOONKPELZQGZ-QWWZWVQMSA-N

Compound name

(2R)-2-[(2R)-2-aminopropanoyl]oxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 65
Patents: 161.0688 Da
Monoisotopic Mass: -2.7
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]+	162.07608	134.1
[M+Na]+	184.05802	140.4
[M+NH4]+	179.10262	139.1
[M+K]+	200.03196	139.6
[M-H]-	160.06152	130.7
[M+Na-2H]-	182.04347	134.2
[M]+	161.06825	133.3
[M]-	161.06935	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe