CID 4103526

39684-80-5

Structural Information

Molecular Formula

C₇H₁₄BrNO₂

SMILES

CC(C)(C)OC(=O)NCCBr

InChI

InChI=1S/C7H14BrNO2/c1-7(2,3)11-6(10)9-5-4-8/h4-5H2,1-3H3,(H,9,10)

InChIKey

TZRQZPMQUXEZMC-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-bromoethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6788
Patents: 223.02078 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]+	224.02806	143.8
[M+Na]+	246.01000	153.7
[M-H]-	222.01350	146.8
[M+NH4]+	241.05460	165.5
[M+K]+	261.98394	144.0
[M+H-H2O]+	206.01804	143.9
[M+HCOO]-	268.01898	163.8
[M+CH3COO]-	282.03463	187.4
[M+Na-2H]-	243.99545	150.7
[M]+	223.02023	163.5
[M]-	223.02133	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe