CID 14800940

Chloromethyl diethylcarbamate

Structural Information

Molecular Formula

C₆H₁₂ClNO₂

SMILES

CCN(CC)C(=O)OCCl

InChI

InChI=1S/C6H12ClNO2/c1-3-8(4-2)6(9)10-5-7/h3-5H2,1-2H3

InChIKey

INYBDSYHTPGUKO-UHFFFAOYSA-N

Compound name

chloromethyl N,N-diethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 165.05565 Da
Monoisotopic Mass: 2.2
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]+	166.062926	133.6
[M+Na]+	188.044868	141.1
[M-H]-	164.048374	135.4
[M+NH4]+	183.089473	155.7
[M+K]+	204.018808	140.8
[M+H-H2O]+	148.052910	129.5
[M+HCOO]-	210.053851	154.2
[M+CH3COO]-	224.069501	181.9
[M+Na-2H]-	186.030316	138.5
[M]+	165.05510142	138.6
[M]-	165.05619858	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe