CID 10868765

Tert-butyl n-(4-bromobutyl)carbamate

Structural Information

Molecular Formula

C₉H₁₈BrNO₂

SMILES

CC(C)(C)OC(=O)NCCCCBr

InChI

InChI=1S/C9H18BrNO2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7H2,1-3H3,(H,11,12)

InChIKey

GKGFAEREWWZBKY-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-bromobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 753
Patents: 251.0521 Da
Monoisotopic Mass: 2.4
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]+	252.05938	153.0
[M+Na]+	274.04132	162.2
[M-H]-	250.04482	155.7
[M+NH4]+	269.08592	173.7
[M+K]+	290.01526	152.0
[M+H-H2O]+	234.04936	152.7
[M+HCOO]-	296.05030	172.4
[M+CH3COO]-	310.06595	193.0
[M+Na-2H]-	272.02677	158.9
[M]+	251.05155	173.4
[M]-	251.05265	173.4

Literature stripe

literature stripe

Patent stripe

patents stripe