CID 53659029

262278-05-7

Structural Information

Molecular Formula

C₁₀H₂₀INO₂

SMILES

CC(C)(C)OC(=O)NCCCCCI

InChI

InChI=1S/C10H20INO2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4-8H2,1-3H3,(H,12,13)

InChIKey

ARXOWAUDEJFDNC-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-iodopentyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 313.0539 Da
Monoisotopic Mass: 3.5
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]+	314.06118	166.8
[M+Na]+	336.04312	165.0
[M-H]-	312.04662	160.0
[M+NH4]+	331.08772	180.9
[M+K]+	352.01706	170.2
[M+H-H2O]+	296.05116	157.8
[M+HCOO]-	358.05210	183.0
[M+CH3COO]-	372.06775	197.2
[M+Na-2H]-	334.02857	158.0
[M]+	313.05335	166.9
[M]-	313.05445	166.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe