CID 66569073

1019861-63-2

Structural Information

Molecular Formula

C₁₁H₂₀INO₂

SMILES

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

InChI

InChI=1S/C11H20INO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7H2,1-3H3,(H,13,14)

InChIKey

QCZCZCVQESKMBB-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-iodocyclohexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 325.0539 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]+	326.061176	164.0
[M+Na]+	348.043118	160.9
[M-H]-	324.046624	159.7
[M+NH4]+	343.087723	177.4
[M+K]+	364.017058	166.0
[M+H-H2O]+	308.051160	154.6
[M+HCOO]-	370.052101	177.4
[M+CH3COO]-	384.067751	197.7
[M+Na-2H]-	346.028566	154.4
[M]+	325.05335142	158.4
[M]-	325.05444858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe