CID 12625302

Ethyl (2-chloroacetyl)(methyl)carbamate

Structural Information

Molecular Formula

C₆H₁₀ClNO₃

SMILES

CCOC(=O)N(C)C(=O)CCl

InChI

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

InChIKey

AYUMCDSXPRPYLX-UHFFFAOYSA-N

Compound name

ethyl N-(2-chloroacetyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 179.03493 Da
Monoisotopic Mass: 0.9
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	134.7
[M+Na]+	202.024148	142.4
[M-H]-	178.027654	136.7
[M+NH4]+	197.068753	156.1
[M+K]+	217.998088	142.4
[M+H-H2O]+	162.032190	130.7
[M+HCOO]-	224.033131	154.8
[M+CH3COO]-	238.048781	183.2
[M+Na-2H]-	200.009596	138.5
[M]+	179.03438142	139.8
[M]-	179.03547858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe