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: 121
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]+	218.13869	150.5
[M+Na]+	240.12063	157.3
[M+NH4]+	235.16523	155.4
[M+K]+	256.09457	154.6
[M-H]-	216.12413	147.5
[M+Na-2H]-	238.10608	151.4
[M]+	217.13086	150.1
[M]-	217.13196	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe