CID 428827

Dimethyl iminodiacetate hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₄

SMILES

COC(=O)CNCC(=O)OC

InChI

InChI=1S/C6H11NO4/c1-10-5(8)3-7-4-6(9)11-2/h7H,3-4H2,1-2H3

InChIKey

VNYJDSJLCWDYJK-UHFFFAOYSA-N

Compound name

methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 565
Patents: 161.0688 Da
Monoisotopic Mass: -0.4
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	132.4
[M+Na]+	184.05802	138.9
[M-H]-	160.06152	132.8
[M+NH4]+	179.10262	152.8
[M+K]+	200.03196	140.3
[M+H-H2O]+	144.06606	127.1
[M+HCOO]-	206.06700	156.6
[M+CH3COO]-	220.08265	178.5
[M+Na-2H]-	182.04347	137.3
[M]+	161.06825	135.8
[M]-	161.06935	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe