CID 91336

3-sec-butylpyridine

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CCC(C)C1=CN=CC=C1

InChI

InChI=1S/C9H13N/c1-3-8(2)9-5-4-6-10-7-9/h4-8H,3H2,1-2H3

InChIKey

UEOMUYCGCCSHAP-UHFFFAOYSA-N

Compound name

3-butan-2-ylpyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 232
Patents: 135.1048 Da
Monoisotopic Mass: 2.5
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]+	136.11208	128.3
[M+Na]+	158.09402	135.5
[M-H]-	134.09752	130.5
[M+NH4]+	153.13862	148.9
[M+K]+	174.06796	134.1
[M+H-H2O]+	118.10206	122.0
[M+HCOO]-	180.10300	150.6
[M+CH3COO]-	194.11865	175.0
[M+Na-2H]-	156.07947	135.6
[M]+	135.10425	128.1
[M]-	135.10535	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe