CID 10616156

172846-36-5

Structural Information

Molecular Formula

C₁₁H₂₂INO₂

SMILES

CC(C)(C)OC(=O)NCCCCCCI

InChI

InChI=1S/C11H22INO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9H2,1-3H3,(H,13,14)

InChIKey

LOAMYYKULCCZAM-UHFFFAOYSA-N

Compound name

tert-butyl N-(6-iodohexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 139
Patents: 327.06952 Da
Monoisotopic Mass: 4.0
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]+	328.07680	164.9
[M+Na]+	350.05874	165.0
[M+NH4]+	345.10334	166.6
[M+K]+	366.03268	163.2
[M-H]-	326.06224	157.1
[M+Na-2H]-	348.04419	153.9
[M]+	327.06897	161.3
[M]-	327.07007	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe