CID 6994535

32213-95-9

Structural Information

Molecular Formula

C₆H₁₁NO₄

SMILES

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

InChI

InChI=1S/C6H11NO4/c1-10-5(8)3-4(7)6(9)11-2/h4H,3,7H2,1-2H3/t4-/m1/s1

InChIKey

BYHXBBOSJKPUJL-SCSAIBSYSA-N

Compound name

dimethyl (2R)-2-aminobutanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 16
References: 1917
Patents: 161.0688 Da
Monoisotopic Mass: -0.9
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	133.3
[M+Na]+	184.05802	139.5
[M-H]-	160.06152	133.2
[M+NH4]+	179.10262	153.3
[M+K]+	200.03196	141.0
[M+H-H2O]+	144.06606	128.1
[M+HCOO]-	206.06700	155.9
[M+CH3COO]-	220.08265	178.8
[M+Na-2H]-	182.04347	135.7
[M]+	161.06825	135.0
[M]-	161.06935	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe