CID 53427389

Dtxsid90699528

Structural Information

Molecular Formula

C₁₅H₂₇NO

SMILES

CCCCCCCC=CC(=O)N1CCCCC1

InChI

InChI=1S/C15H27NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h9,12H,2-8,10-11,13-14H2,1H3

InChIKey

QBDDXKUFMFRNPR-UHFFFAOYSA-N

Compound name

1-piperidin-1-yldec-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 237.20926 Da
Monoisotopic Mass: 4.5
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]+	238.21654	162.6
[M+Na]+	260.19848	164.8
[M-H]-	236.20198	162.6
[M+NH4]+	255.24308	178.7
[M+K]+	276.17242	161.8
[M+H-H2O]+	220.20652	155.0
[M+HCOO]-	282.20746	179.1
[M+CH3COO]-	296.22311	193.0
[M+Na-2H]-	258.18393	163.3
[M]+	237.20871	160.1
[M]-	237.20981	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe