CID 977179

677327-29-6

Structural Information

Molecular Formula

C₁₁H₁₅IN₂O

SMILES

CC1=CC(=CN=C1NC(=O)C(C)(C)C)I

InChI

InChI=1S/C11H15IN2O/c1-7-5-8(12)6-13-9(7)14-10(15)11(2,3)4/h5-6H,1-4H3,(H,13,14,15)

InChIKey

LRQWADXLVLGBSY-UHFFFAOYSA-N

Compound name

N-(5-iodo-3-methylpyridin-2-yl)-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 318.02292 Da
Monoisotopic Mass: 2.8
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]+	319.03020	158.9
[M+Na]+	341.01214	159.7
[M-H]-	317.01564	154.7
[M+NH4]+	336.05674	171.9
[M+K]+	356.98608	163.5
[M+H-H2O]+	301.02018	149.0
[M+HCOO]-	363.02112	175.1
[M+CH3COO]-	377.03677	198.9
[M+Na-2H]-	338.99759	151.7
[M]+	318.02237	157.0
[M]-	318.02347	157.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.