CID 15933116

88574-53-2

Structural Information

Molecular Formula

C₁₀H₁₉NO₄

SMILES

CCOC(=O)CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C10H19NO4/c1-5-14-8(12)6-7-11-9(13)15-10(2,3)4/h5-7H2,1-4H3,(H,11,13)

InChIKey

PARMXQJJKOUVHS-UHFFFAOYSA-N

Compound name

ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 128
Patents: 217.13141 Da
Monoisotopic Mass: 1.1
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]+	218.138686	150.7
[M+Na]+	240.120628	156.2
[M-H]-	216.124134	150.8
[M+NH4]+	235.165233	169.2
[M+K]+	256.094568	157.0
[M+H-H2O]+	200.128670	145.6
[M+HCOO]-	262.129611	172.2
[M+CH3COO]-	276.145261	189.6
[M+Na-2H]-	238.106076	154.4
[M]+	217.13086142	155.0
[M]-	217.13195858	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe