CID 4460490

83948-53-2

Structural Information

Molecular Formula

C₈H₁₆BrNO₂

SMILES

CC(C)(C)OC(=O)NCCCBr

InChI

InChI=1S/C8H16BrNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)

InChIKey

IOKGWQZQCNXXLD-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-bromopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3992
Patents: 237.03644 Da
Monoisotopic Mass: 2.0
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]+	238.04372	147.7
[M+Na]+	260.02566	147.2
[M+NH4]+	255.07026	150.9
[M+K]+	275.99960	148.8
[M-H]-	236.02916	145.2
[M+Na-2H]-	258.01111	147.5
[M]+	237.03589	145.5
[M]-	237.03699	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe