CID 14708120

127446-34-8

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂O₂

SMILES

CC(C)(C)C(=O)NC1=C(C=CC(=N1)Cl)C=O

InChI

InChI=1S/C11H13ClN2O2/c1-11(2,3)10(16)14-9-7(6-15)4-5-8(12)13-9/h4-6H,1-3H3,(H,13,14,16)

InChIKey

QTIICTFBNRXNRF-UHFFFAOYSA-N

Compound name

N-(6-chloro-3-formylpyridin-2-yl)-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 240.06656 Da
Monoisotopic Mass: 2.7
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]+	241.07384	152.3
[M+Na]+	263.05578	164.4
[M+NH4]+	258.10038	159.1
[M+K]+	279.02972	158.9
[M-H]-	239.05928	152.8
[M+Na-2H]-	261.04123	157.8
[M]+	240.06601	154.3
[M]-	240.06711	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe