CID 6452343

51115-68-5

Structural Information

Molecular Formula

C₁₃H₂₅NO₃

SMILES

CCOC(=O)CNC(=O)C(C)(C(C)C)C(C)C

InChI

InChI=1S/C13H25NO3/c1-7-17-11(15)8-14-12(16)13(6,9(2)3)10(4)5/h9-10H,7-8H2,1-6H3,(H,14,16)

InChIKey

ZZAPENIYDFOWME-UHFFFAOYSA-N

Compound name

ethyl 2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 243.18344 Da
Monoisotopic Mass: 2.8
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]+	244.190716	160.8
[M+Na]+	266.172658	164.6
[M-H]-	242.176164	160.5
[M+NH4]+	261.217263	178.1
[M+K]+	282.146598	165.1
[M+H-H2O]+	226.180700	155.6
[M+HCOO]-	288.181641	179.1
[M+CH3COO]-	302.197291	199.7
[M+Na-2H]-	264.158106	160.4
[M]+	243.18289142	163.7
[M]-	243.18398858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe