CID 70289008

1-(5-propylpyridin-2-yl)ethan-1-one

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CCCC1=CN=C(C=C1)C(=O)C

InChI

InChI=1S/C10H13NO/c1-3-4-9-5-6-10(8(2)12)11-7-9/h5-7H,3-4H2,1-2H3

InChIKey

VTJSYOJYDVMLQF-UHFFFAOYSA-N

Compound name

1-(5-propylpyridin-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 163.09972 Da
Monoisotopic Mass: 2.2
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	134.4
[M+Na]+	186.08894	142.4
[M-H]-	162.09244	136.8
[M+NH4]+	181.13354	154.0
[M+K]+	202.06288	140.6
[M+H-H2O]+	146.09698	128.0
[M+HCOO]-	208.09792	156.8
[M+CH3COO]-	222.11357	180.1
[M+Na-2H]-	184.07439	140.3
[M]+	163.09917	135.7
[M]-	163.10027	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe