CID 602332

77251-49-1

Structural Information

Molecular Formula

C₁₁H₁₉NO

SMILES

CCCC(C)C(=O)N1CCC=CC1

InChI

InChI=1S/C11H19NO/c1-3-7-10(2)11(13)12-8-5-4-6-9-12/h4-5,10H,3,6-9H2,1-2H3

InChIKey

BIBAJQQJVJRDND-UHFFFAOYSA-N

Compound name

1-(3,6-dihydro-2H-pyridin-1-yl)-2-methylpentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.14667 Da
Monoisotopic Mass: 2.4
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]+	182.153946	143.8
[M+Na]+	204.135888	148.1
[M-H]-	180.139394	145.0
[M+NH4]+	199.180493	162.2
[M+K]+	220.109828	147.0
[M+H-H2O]+	164.143930	137.0
[M+HCOO]-	226.144871	162.0
[M+CH3COO]-	240.160521	182.9
[M+Na-2H]-	202.121336	146.5
[M]+	181.14612142	141.5
[M]-	181.14721858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe