CID 134306024

33206-00-7

Structural Information

Molecular Formula

C₆H₁₀ClNO₃

SMILES

CCOC(=O)CN(C)C(=O)Cl

InChI

InChI=1S/C6H10ClNO3/c1-3-11-5(9)4-8(2)6(7)10/h3-4H2,1-2H3

InChIKey

OHGJZKDJUOSKEX-UHFFFAOYSA-N

Compound name

ethyl 2-[carbonochloridoyl(methyl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 179.03493 Da
Monoisotopic Mass: 1.1
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]+	180.042206	134.5
[M+Na]+	202.024148	142.1
[M-H]-	178.027654	136.4
[M+NH4]+	197.068753	155.8
[M+K]+	217.998088	142.1
[M+H-H2O]+	162.032190	130.4
[M+HCOO]-	224.033131	154.6
[M+CH3COO]-	238.048781	183.8
[M+Na-2H]-	200.009596	138.3
[M]+	179.03438142	139.7
[M]-	179.03547858	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe