CID 15778840

5-(1,1-dimethylethyl)-2-pyridinecarboxaldehyde

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

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

InChI

InChI=1S/C10H13NO/c1-10(2,3)8-4-5-9(7-12)11-6-8/h4-7H,1-3H3

InChIKey

PGCAICQUZZLERV-UHFFFAOYSA-N

Compound name

5-tert-butylpyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 163.09972 Da
Monoisotopic Mass: 2.3
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]+	164.106996	134.6
[M+Na]+	186.088938	143.5
[M-H]-	162.092444	137.3
[M+NH4]+	181.133543	154.6
[M+K]+	202.062878	141.6
[M+H-H2O]+	146.096980	128.9
[M+HCOO]-	208.097921	156.5
[M+CH3COO]-	222.113571	178.9
[M+Na-2H]-	184.074386	142.4
[M]+	163.09917142	136.0
[M]-	163.10026858	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe