CID 59840485

220074-38-4

Structural Information

Molecular Formula

C₈H₁₆ClNO₂

SMILES

CC(C)(C)OC(=O)N(C)CCCl

InChI

InChI=1S/C8H16ClNO2/c1-8(2,3)12-7(11)10(4)6-5-9/h5-6H2,1-4H3

InChIKey

VQFOCOGVVYWWRJ-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-chloroethyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 187
Patents: 193.08696 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]+	194.09424	142.2
[M+Na]+	216.07618	151.6
[M+NH4]+	211.12078	149.5
[M+K]+	232.05012	147.2
[M-H]-	192.07968	141.2
[M+Na-2H]-	214.06163	145.3
[M]+	193.08641	143.3
[M]-	193.08751	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe