CID 13670216

96804-45-4

Structural Information

Molecular Formula

C₈H₁₆N₂O₄

SMILES

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

InChI

InChI=1S/C8H16N2O4/c1-9(2)10(8(12)14-4)6-5-7(11)13-3/h5-6H2,1-4H3

InChIKey

DVQLZZUBWYJCDU-UHFFFAOYSA-N

Compound name

methyl 3-[dimethylamino(methoxycarbonyl)amino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.11101 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]+	205.11829	145.5
[M+Na]+	227.10023	150.7
[M-H]-	203.10373	148.5
[M+NH4]+	222.14483	165.2
[M+K]+	243.07417	154.4
[M+H-H2O]+	187.10827	139.1
[M+HCOO]-	249.10921	171.1
[M+CH3COO]-	263.12486	196.0
[M+Na-2H]-	225.08568	148.1
[M]+	204.11046	151.3
[M]-	204.11156	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe