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: 17
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]+	326.06118	164.0
[M+Na]+	348.04312	160.9
[M-H]-	324.04662	159.7
[M+NH4]+	343.08772	177.4
[M+K]+	364.01706	166.0
[M+H-H2O]+	308.05116	154.6
[M+HCOO]-	370.05210	177.4
[M+CH3COO]-	384.06775	197.7
[M+Na-2H]-	346.02857	154.4
[M]+	325.05335	158.4
[M]-	325.05445	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe