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: 188
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	142.4
[M+Na]+	216.07618	149.7
[M-H]-	192.07968	144.3
[M+NH4]+	211.12078	163.6
[M+K]+	232.05012	149.2
[M+H-H2O]+	176.08422	138.6
[M+HCOO]-	238.08516	160.9
[M+CH3COO]-	252.10081	187.5
[M+Na-2H]-	214.06163	147.0
[M]+	193.08641	147.6
[M]-	193.08751	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe