CID 14964868

1,3-diethyl 2-(2-methylpropanamido)propanedioate

Structural Information

Molecular Formula

C₁₁H₁₉NO₅

SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)C(C)C

InChI

InChI=1S/C11H19NO5/c1-5-16-10(14)8(11(15)17-6-2)12-9(13)7(3)4/h7-8H,5-6H2,1-4H3,(H,12,13)

InChIKey

WWYZLQQYWMHZBS-UHFFFAOYSA-N

Compound name

diethyl 2-(2-methylpropanoylamino)propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 245.12633 Da
Monoisotopic Mass: 1.4
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]+	246.133606	157.0
[M+Na]+	268.115548	161.1
[M-H]-	244.119054	156.8
[M+NH4]+	263.160153	173.8
[M+K]+	284.089488	162.7
[M+H-H2O]+	228.123590	151.1
[M+HCOO]-	290.124531	177.1
[M+CH3COO]-	304.140181	196.9
[M+Na-2H]-	266.100996	155.7
[M]+	245.12578142	161.1
[M]-	245.12687858	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe