CID 85722826

Tert-butyl n-(4-bromobutyl)-n-methylcarbamate

Structural Information

Molecular Formula

C₁₀H₂₀BrNO₂

SMILES

CC(C)(C)OC(=O)N(C)CCCCBr

InChI

InChI=1S/C10H20BrNO2/c1-10(2,3)14-9(13)12(4)8-6-5-7-11/h5-8H2,1-4H3

InChIKey

CAUPIPOOFDSKNK-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-bromobutyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 265.06775 Da
Monoisotopic Mass: 2.6
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]+	266.07503	157.0
[M+Na]+	288.05697	166.0
[M-H]-	264.06047	161.0
[M+NH4]+	283.10157	177.9
[M+K]+	304.03091	156.9
[M+H-H2O]+	248.06501	156.5
[M+HCOO]-	310.06595	176.6
[M+CH3COO]-	324.08160	199.1
[M+Na-2H]-	286.04242	161.8
[M]+	265.06720	179.0
[M]-	265.06830	179.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe