CID 57588924

1-cyclopentylpiperidine-4-carbaldehyde

Structural Information

Molecular Formula

C₁₁H₁₉NO

SMILES

C1CCC(C1)N2CCC(CC2)C=O

InChI

InChI=1S/C11H19NO/c13-9-10-5-7-12(8-6-10)11-3-1-2-4-11/h9-11H,1-8H2

InChIKey

AQKNDQKLLTZYSX-UHFFFAOYSA-N

Compound name

1-cyclopentylpiperidine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 181.14667 Da
Monoisotopic Mass: 1.5
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]+	182.153946	143.5
[M+Na]+	204.135888	147.3
[M-H]-	180.139394	147.3
[M+NH4]+	199.180493	163.3
[M+K]+	220.109828	145.3
[M+H-H2O]+	164.143930	136.2
[M+HCOO]-	226.144871	161.4
[M+CH3COO]-	240.160521	179.7
[M+Na-2H]-	202.121336	144.7
[M]+	181.14612142	136.6
[M]-	181.14721858	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe