CID 87566391

1013401-79-0

Structural Information

Molecular Formula

C₁₀H₁₇NO₆

SMILES

CC(C)(C)OC(=O)N(CC(=O)O)CC(=O)OC

InChI

InChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11(5-7(12)13)6-8(14)16-4/h5-6H2,1-4H3,(H,12,13)

InChIKey

IAFATQATYJUNQN-UHFFFAOYSA-N

Compound name

2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 247.10559 Da
Monoisotopic Mass: 0.6
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]+	248.112866	152.9
[M+Na]+	270.094808	158.0
[M-H]-	246.098314	153.1
[M+NH4]+	265.139413	169.8
[M+K]+	286.068748	160.4
[M+H-H2O]+	230.102850	147.7
[M+HCOO]-	292.103791	173.1
[M+CH3COO]-	306.119441	194.8
[M+Na-2H]-	268.080256	154.6
[M]+	247.10504142	158.2
[M]-	247.10613858	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe