CID 10447729

113975-32-9

Structural Information

Molecular Formula

C₁₀H₁₃IN₂O

SMILES

CC(C)(C)C(=O)NC1=C(C=CN=C1)I

InChI

InChI=1S/C10H13IN2O/c1-10(2,3)9(14)13-8-6-12-5-4-7(8)11/h4-6H,1-3H3,(H,13,14)

InChIKey

MWRKADKNFCJKNN-UHFFFAOYSA-N

Compound name

N-(4-iodopyridin-3-yl)-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 304.00726 Da
Monoisotopic Mass: 2.1
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]+	305.01454	155.3
[M+Na]+	326.99648	155.5
[M-H]-	302.99998	150.8
[M+NH4]+	322.04108	168.4
[M+K]+	342.97042	159.5
[M+H-H2O]+	287.00452	145.2
[M+HCOO]-	349.00546	171.7
[M+CH3COO]-	363.02111	194.9
[M+Na-2H]-	324.98193	149.2
[M]+	304.00671	152.6
[M]-	304.00781	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe