CID 90845760

180858-08-6

Structural Information

Molecular Formula

C₁₀H₁₉NO₄

SMILES

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

InChI

InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)7-6-8(12)11(4)14-5/h6-7H2,1-5H3

InChIKey

WFPAIHVCLZLRLP-UHFFFAOYSA-N

Compound name

tert-butyl 4-[methoxy(methyl)amino]-4-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 217.13141 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]+	218.13869	149.4
[M+Na]+	240.12063	155.0
[M-H]-	216.12413	151.0
[M+NH4]+	235.16523	168.5
[M+K]+	256.09457	157.3
[M+H-H2O]+	200.12867	144.2
[M+HCOO]-	262.12961	171.4
[M+CH3COO]-	276.14526	193.7
[M+Na-2H]-	238.10608	152.4
[M]+	217.13086	155.1
[M]-	217.13196	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe