CID 4104742

856417-64-6

Structural Information

Molecular Formula

C₁₀H₁₇NO₆

SMILES

CC(C)(C)OC(=O)NC(CC(=O)OC)C(=O)O

InChI

InChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11-6(8(13)14)5-7(12)16-4/h6H,5H2,1-4H3,(H,11,15)(H,13,14)

InChIKey

WFPSMPYVXFVVFA-UHFFFAOYSA-N

Compound name

4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 444
Patents: 247.10559 Da
Monoisotopic Mass: 0.4
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]+	248.11287	153.7
[M+Na]+	270.09481	158.3
[M-H]-	246.09831	152.4
[M+NH4]+	265.13941	169.8
[M+K]+	286.06875	159.9
[M+H-H2O]+	230.10285	148.6
[M+HCOO]-	292.10379	172.3
[M+CH3COO]-	306.11944	192.3
[M+Na-2H]-	268.08026	154.8
[M]+	247.10504	157.0
[M]-	247.10614	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe