CID 13670217

96804-46-5

Structural Information

Molecular Formula

C₉H₁₈N₂O₃

SMILES

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

InChI

InChI=1S/C9H18N2O3/c1-7(9(13)14-5)6-11(8(2)12)10(3)4/h7H,6H2,1-5H3

InChIKey

HQFNGFJUQLUCIX-UHFFFAOYSA-N

Compound name

methyl 3-[acetyl(dimethylamino)amino]-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 202.13174 Da
Monoisotopic Mass: 0.4
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]+	203.139016	147.5
[M+Na]+	225.120958	152.2
[M-H]-	201.124464	150.5
[M+NH4]+	220.165563	167.3
[M+K]+	241.094898	155.6
[M+H-H2O]+	185.129000	141.3
[M+HCOO]-	247.129941	171.6
[M+CH3COO]-	261.145591	198.5
[M+Na-2H]-	223.106406	148.3
[M]+	202.13119142	151.7
[M]-	202.13228858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe