CID 12772347

19265-06-6

Structural Information

Molecular Formula

C₅H₈ClNO₃

SMILES

CCOC(=O)N(C)C(=O)Cl

InChI

InChI=1S/C5H8ClNO3/c1-3-10-5(9)7(2)4(6)8/h3H2,1-2H3

InChIKey

SNVGDEMHOMCIMA-UHFFFAOYSA-N

Compound name

ethyl N-carbonochloridoyl-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 165.01927 Da
Monoisotopic Mass: 1.7
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]+	166.02655	129.9
[M+Na]+	188.00849	138.0
[M-H]-	164.01199	132.1
[M+NH4]+	183.05309	151.9
[M+K]+	203.98243	138.3
[M+H-H2O]+	148.01653	126.1
[M+HCOO]-	210.01747	150.4
[M+CH3COO]-	224.03312	180.2
[M+Na-2H]-	185.99394	134.2
[M]+	165.01872	134.6
[M]-	165.01982	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe