CID 53896098

6-(tert-butoxy)pyridine-3-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC(C)(C)OC1=NC=C(C=C1)C=O

InChI

InChI=1S/C10H13NO2/c1-10(2,3)13-9-5-4-8(7-12)6-11-9/h4-7H,1-3H3

InChIKey

HTUZMRUNUUQBPY-UHFFFAOYSA-N

Compound name

6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 179.09464 Da
Monoisotopic Mass: 1.6
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]+	180.10192	138.0
[M+Na]+	202.08386	146.8
[M-H]-	178.08736	140.7
[M+NH4]+	197.12846	157.2
[M+K]+	218.05780	145.4
[M+H-H2O]+	162.09190	132.0
[M+HCOO]-	224.09284	160.1
[M+CH3COO]-	238.10849	180.9
[M+Na-2H]-	200.06931	145.8
[M]+	179.09409	140.9
[M]-	179.09519	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe