CID 33726021

1023812-90-9

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

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

InChI

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

InChIKey

SDZDTMNDMLTMKX-UHFFFAOYSA-N

Compound name

2-tert-butylpyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 163.09972 Da
Monoisotopic Mass: 2.0
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]+	164.10700	134.6
[M+Na]+	186.08894	143.5
[M-H]-	162.09244	137.3
[M+NH4]+	181.13354	154.6
[M+K]+	202.06288	141.6
[M+H-H2O]+	146.09698	128.9
[M+HCOO]-	208.09792	156.5
[M+CH3COO]-	222.11357	178.9
[M+Na-2H]-	184.07439	142.4
[M]+	163.09917	136.0
[M]-	163.10027	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe