CID 17750156

375853-79-5

Structural Information

Molecular Formula

C₁₀H₁₃IN₂O₂

SMILES

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

InChI

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

InChIKey

YZLXIVKPYUFJPN-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-iodopyridin-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
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]+	321.00945	159.8
[M+Na]+	342.99139	160.0
[M-H]-	318.99489	155.3
[M+NH4]+	338.03599	172.3
[M+K]+	358.96533	164.5
[M+H-H2O]+	302.99943	149.5
[M+HCOO]-	365.00037	176.4
[M+CH3COO]-	379.01602	196.3
[M+Na-2H]-	340.97684	153.6
[M]+	320.00162	158.3
[M]-	320.00272	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe