CID 21643695

133297-44-6

Structural Information

Molecular Formula

C₉H₁₇NO₄

SMILES

CC(C)(C)OC(=O)CNCC(=O)OC

InChI

InChI=1S/C9H17NO4/c1-9(2,3)14-8(12)6-10-5-7(11)13-4/h10H,5-6H2,1-4H3

InChIKey

GYQKHAFKMOYWDA-UHFFFAOYSA-N

Compound name

methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 203.11575 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]+	204.12303	145.8
[M+Na]+	226.10497	151.6
[M-H]-	202.10847	146.1
[M+NH4]+	221.14957	164.8
[M+K]+	242.07891	152.7
[M+H-H2O]+	186.11301	140.8
[M+HCOO]-	248.11395	167.6
[M+CH3COO]-	262.12960	187.2
[M+Na-2H]-	224.09042	150.0
[M]+	203.11520	149.8
[M]-	203.11630	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe