CID 44153613

83711-57-3

Structural Information

Molecular Formula

C₁₀H₁₇NO₆

SMILES

COC(=O)CCN(CCC(=O)OC)C(=O)OC

InChI

InChI=1S/C10H17NO6/c1-15-8(12)4-6-11(10(14)17-3)7-5-9(13)16-2/h4-7H2,1-3H3

InChIKey

AFMJSJPNRZXPRE-UHFFFAOYSA-N

Compound name

methyl 3-[methoxycarbonyl-(3-methoxy-3-oxopropyl)amino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 247.10559 Da
Monoisotopic Mass: -0.2
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]+	248.112866	154.1
[M+Na]+	270.094808	159.2
[M-H]-	246.098314	155.4
[M+NH4]+	265.139413	171.5
[M+K]+	286.068748	161.9
[M+H-H2O]+	230.102850	147.8
[M+HCOO]-	292.103791	177.2
[M+CH3COO]-	306.119441	196.9
[M+Na-2H]-	268.080256	155.2
[M]+	247.10504142	161.7
[M]-	247.10613858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe