CID 1519484

127446-35-9

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C11H14N2O2/c1-11(2,3)10(15)13-9-6-12-5-4-8(9)7-14/h4-7H,1-3H3,(H,13,15)

InChIKey

DGVSJDANXUJTRG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 206.10553 Da
Monoisotopic Mass: 1.4
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]+	207.11281	145.9
[M+Na]+	229.09475	153.4
[M-H]-	205.09825	148.5
[M+NH4]+	224.13935	163.6
[M+K]+	245.06869	151.6
[M+H-H2O]+	189.10279	139.4
[M+HCOO]-	251.10373	167.9
[M+CH3COO]-	265.11938	188.1
[M+Na-2H]-	227.08020	152.3
[M]+	206.10498	146.9
[M]-	206.10608	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe