CID 72824437

Tert-butyl n-(2-bromocyclopentyl)carbamate

Structural Information

Molecular Formula

C₁₀H₁₈BrNO₂

SMILES

CC(C)(C)OC(=O)NC1CCCC1Br

InChI

InChI=1S/C10H18BrNO2/c1-10(2,3)14-9(13)12-8-6-4-5-7(8)11/h7-8H,4-6H2,1-3H3,(H,12,13)

InChIKey

FVDMQZUDASQWFU-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-bromocyclopentyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 263.0521 Da
Monoisotopic Mass: 2.7
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]+	264.059376	158.6
[M+Na]+	286.041318	167.4
[M-H]-	262.044824	164.2
[M+NH4]+	281.085923	180.4
[M+K]+	302.015258	157.4
[M+H-H2O]+	246.049360	158.5
[M+HCOO]-	308.050301	177.1
[M+CH3COO]-	322.065951	193.3
[M+Na-2H]-	284.026766	161.9
[M]+	263.05155142	175.4
[M]-	263.05264858	175.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.