CID 67470265

1222709-30-9

Structural Information

Molecular Formula

C₁₂H₂₂BrNO₂

SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)CBr

InChI

InChI=1S/C12H22BrNO2/c1-12(2,3)16-11(15)14-10-6-4-9(8-13)5-7-10/h9-10H,4-8H2,1-3H3,(H,14,15)

InChIKey

JPJCPRFAUVDSEA-UHFFFAOYSA-N

Compound name

tert-butyl N-[4-(bromomethyl)cyclohexyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 291.0834 Da
Monoisotopic Mass: 3.2
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]+	292.09068	164.2
[M+Na]+	314.07262	171.1
[M-H]-	290.07612	169.2
[M+NH4]+	309.11722	183.2
[M+K]+	330.04656	160.8
[M+H-H2O]+	274.08066	163.7
[M+HCOO]-	336.08160	180.1
[M+CH3COO]-	350.09725	199.2
[M+Na-2H]-	312.05807	167.7
[M]+	291.08285	179.9
[M]-	291.08395	179.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe