CID 91636097

Tert-butyl n-{[1-(bromomethyl)cyclopentyl]methyl}carbamate

Structural Information

Molecular Formula

C₁₂H₂₂BrNO₂

SMILES

CC(C)(C)OC(=O)NCC1(CCCC1)CBr

InChI

InChI=1S/C12H22BrNO2/c1-11(2,3)16-10(15)14-9-12(8-13)6-4-5-7-12/h4-9H2,1-3H3,(H,14,15)

InChIKey

XCLFEXPXRMCNSY-UHFFFAOYSA-N

Compound name

tert-butyl N-[[1-(bromomethyl)cyclopentyl]methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.0834 Da
Monoisotopic Mass: 3.4
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]+	292.090676	165.7
[M+Na]+	314.072618	173.7
[M-H]-	290.076124	171.0
[M+NH4]+	309.117223	188.1
[M+K]+	330.046558	163.5
[M+H-H2O]+	274.080660	166.3
[M+HCOO]-	336.081601	183.7
[M+CH3COO]-	350.097251	197.4
[M+Na-2H]-	312.058066	170.1
[M]+	291.08285142	183.4
[M]-	291.08394858	183.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.