CID 22471886

165963-71-3

Structural Information

Molecular Formula

C₁₁H₂₂BrNO₄

SMILES

CC(C)(C)OC(=O)NCCOCCOCCBr

InChI

InChI=1S/C11H22BrNO4/c1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12/h4-9H2,1-3H3,(H,13,14)

InChIKey

WGWDCMKAMHBDPO-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 257
Patents: 311.0732 Da
Monoisotopic Mass: 1.4
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]+	312.08048	166.4
[M+Na]+	334.06242	174.4
[M-H]-	310.06592	168.5
[M+NH4]+	329.10702	184.6
[M+K]+	350.03636	164.7
[M+H-H2O]+	294.07046	165.2
[M+HCOO]-	356.07140	185.5
[M+CH3COO]-	370.08705	202.4
[M+Na-2H]-	332.04787	171.5
[M]+	311.07265	190.2
[M]-	311.07375	190.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe