CID 145874808

5-cyclobutylpyridine-2-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C1CC(C1)C2=CN=C(C=C2)C=O

InChI

InChI=1S/C10H11NO/c12-7-10-5-4-9(6-11-10)8-2-1-3-8/h4-8H,1-3H2

InChIKey

YIXKBCUWZGGDSV-UHFFFAOYSA-N

Compound name

5-cyclobutylpyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 161.08406 Da
Monoisotopic Mass: 2.1
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]+	162.09134	130.7
[M+Na]+	184.07328	139.8
[M+NH4]+	179.11788	135.8
[M+K]+	200.04722	134.9
[M-H]-	160.07678	131.3
[M+Na-2H]-	182.05873	136.8
[M]+	161.08351	131.0
[M]-	161.08461	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe