CID 83826245

3-cyclopentylbutanal

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CC(CC=O)C1CCCC1

InChI

InChI=1S/C9H16O/c1-8(6-7-10)9-4-2-3-5-9/h7-9H,2-6H2,1H3

InChIKey

BPYKNKFKVPEPNV-UHFFFAOYSA-N

Compound name

3-cyclopentylbutanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 140.12012 Da
Monoisotopic Mass: 2.7
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]+	141.12740	133.5
[M+Na]+	163.10934	138.7
[M-H]-	139.11284	136.2
[M+NH4]+	158.15394	156.6
[M+K]+	179.08328	137.9
[M+H-H2O]+	123.11738	128.2
[M+HCOO]-	185.11832	155.2
[M+CH3COO]-	199.13397	174.3
[M+Na-2H]-	161.09479	136.0
[M]+	140.11957	131.2
[M]-	140.12067	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe