CID 22712752

164332-88-1

Structural Information

Molecular Formula

C₉H₁₈BrNO₃

SMILES

CC(C)(C)OC(=O)NCCOCCBr

InChI

InChI=1S/C9H18BrNO3/c1-9(2,3)14-8(12)11-5-7-13-6-4-10/h4-7H2,1-3H3,(H,11,12)

InChIKey

DMOPZPBTLCZSGL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 178
Patents: 267.047 Da
Monoisotopic Mass: 1.5
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]+	268.054276	155.3
[M+Na]+	290.036218	164.3
[M-H]-	266.039724	157.9
[M+NH4]+	285.080823	175.3
[M+K]+	306.010158	154.5
[M+H-H2O]+	250.044260	154.7
[M+HCOO]-	312.045201	174.8
[M+CH3COO]-	326.060851	194.9
[M+Na-2H]-	288.021666	161.2
[M]+	267.04645142	177.0
[M]-	267.04754858	177.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe