CID 15365678

208349-33-1

Structural Information

Molecular Formula

C₁₁H₂₁NO

SMILES

CCN(CC)CC1(CCCC1)C=O

InChI

InChI=1S/C11H21NO/c1-3-12(4-2)9-11(10-13)7-5-6-8-11/h10H,3-9H2,1-2H3

InChIKey

SUNGPOZQDDDPQC-UHFFFAOYSA-N

Compound name

1-(diethylaminomethyl)cyclopentane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.16231 Da
Monoisotopic Mass: 1.9
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]+	184.169586	144.5
[M+Na]+	206.151528	149.3
[M-H]-	182.155034	148.5
[M+NH4]+	201.196133	168.2
[M+K]+	222.125468	148.9
[M+H-H2O]+	166.159570	139.0
[M+HCOO]-	228.160511	168.0
[M+CH3COO]-	242.176161	187.3
[M+Na-2H]-	204.136976	148.0
[M]+	183.16176142	144.3
[M]-	183.16285858	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.