CID 129847044

1218815-84-9

Structural Information

Molecular Formula

C₈H₁₅NO₄

SMILES

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

InChI

InChI=1S/C8H15NO4/c1-8(2,3)13-7(11)6(10)9(4)12-5/h1-5H3

InChIKey

DCSBEGCJZBZJIG-UHFFFAOYSA-N

Compound name

tert-butyl 2-[methoxy(methyl)amino]-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 189.10011 Da
Monoisotopic Mass: 1.0
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]+	190.107386	140.0
[M+Na]+	212.089328	146.6
[M-H]-	188.092834	142.1
[M+NH4]+	207.133933	160.4
[M+K]+	228.063268	149.3
[M+H-H2O]+	172.097370	135.2
[M+HCOO]-	234.098311	162.7
[M+CH3COO]-	248.113961	187.1
[M+Na-2H]-	210.074776	144.1
[M]+	189.09956142	144.9
[M]-	189.10065858	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe