CID 165997997

2152548-00-8

Structural Information

Molecular Formula

C₁₁H₁₉NO₆

SMILES

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

InChI

InChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12(7-8(13)14)6-5-9(15)17-4/h5-7H2,1-4H3,(H,13,14)

InChIKey

BQQRINDWZHBCBN-UHFFFAOYSA-N

Compound name

2-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 261.12125 Da
Monoisotopic Mass: 0.5
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]+	262.128526	157.6
[M+Na]+	284.110468	162.3
[M-H]-	260.113974	157.6
[M+NH4]+	279.155073	173.9
[M+K]+	300.084408	164.5
[M+H-H2O]+	244.118510	152.2
[M+HCOO]-	306.119451	177.5
[M+CH3COO]-	320.135101	197.7
[M+Na-2H]-	282.095916	158.8
[M]+	261.12070142	163.3
[M]-	261.12179858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe