CID 130492424

1698329-98-4

Structural Information

Molecular Formula

C₁₀H₂₀BrNO₃

SMILES

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

InChI

InChI=1S/C10H20BrNO3/c1-10(2,3)15-9(13)12(4)6-8-14-7-5-11/h5-8H2,1-4H3

InChIKey

XMWBHBWDIMWCKF-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(2-bromoethoxy)ethyl]-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 281.06265 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]+	282.06993	159.4
[M+Na]+	304.05187	168.2
[M-H]-	280.05537	163.3
[M+NH4]+	299.09647	179.5
[M+K]+	320.02581	159.6
[M+H-H2O]+	264.05991	158.6
[M+HCOO]-	326.06085	179.1
[M+CH3COO]-	340.07650	201.0
[M+Na-2H]-	302.03732	164.2
[M]+	281.06210	182.7
[M]-	281.06320	182.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe