CID 11484026

(4-iodo-pyridin-2-yl)-carbamic acid tert-butyl ester

Structural Information

Molecular Formula

C₁₀H₁₃IN₂O₂

SMILES

CC(C)(C)OC(=O)NC1=NC=CC(=C1)I

InChI

InChI=1S/C10H13IN2O2/c1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8/h4-6H,1-3H3,(H,12,13,14)

InChIKey

TTYADBPTZJSAMH-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-iodo-2-pyridinyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 320.00217 Da
Monoisotopic Mass: 2.4
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]+	321.009446	159.8
[M+Na]+	342.991388	160.0
[M-H]-	318.994894	155.3
[M+NH4]+	338.035993	172.3
[M+K]+	358.965328	164.5
[M+H-H2O]+	302.999430	149.5
[M+HCOO]-	365.000371	176.4
[M+CH3COO]-	379.016021	196.3
[M+Na-2H]-	340.976836	153.6
[M]+	320.00162142	158.3
[M]-	320.00271858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe