CID 13670207

96804-33-0

Structural Information

Molecular Formula

C₈H₁₆N₂O₃

SMILES

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

InChI

InChI=1S/C8H16N2O3/c1-7(11)10(9(2)3)6-5-8(12)13-4/h5-6H2,1-4H3

InChIKey

PSOGQICWCCSJOW-UHFFFAOYSA-N

Compound name

methyl 3-[acetyl(dimethylamino)amino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 188.11609 Da
Monoisotopic Mass: -0.2
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]+	189.12337	142.8
[M+Na]+	211.10531	148.1
[M-H]-	187.10881	145.9
[M+NH4]+	206.14991	163.2
[M+K]+	227.07925	151.2
[M+H-H2O]+	171.11335	136.6
[M+HCOO]-	233.11429	168.2
[M+CH3COO]-	247.12994	194.6
[M+Na-2H]-	209.09076	145.3
[M]+	188.11554	147.3
[M]-	188.11664	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe