CID 13601736

106556-64-3

Structural Information

Molecular Formula

C₉H₁₇NO₄

SMILES

CC(C)(C(=O)OC)NCCC(=O)OC

InChI

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

InChIKey

RSWMHAKZMAPORV-UHFFFAOYSA-N

Compound name

methyl 2-[(3-methoxy-3-oxopropyl)amino]-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 203.11575 Da
Monoisotopic Mass: 0.1
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	152.7
[M+NH4]+	221.14957	150.9
[M+K]+	242.07891	150.4
[M-H]-	202.10847	142.9
[M+Na-2H]-	224.09042	147.0
[M]+	203.11520	145.5
[M]-	203.11630	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe