CID 85680905

5-cyclopropylpentanal

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C1CC1CCCCC=O

InChI

InChI=1S/C8H14O/c9-7-3-1-2-4-8-5-6-8/h7-8H,1-6H2

InChIKey

FRYKIPDMAMKMDF-UHFFFAOYSA-N

Compound name

5-cyclopropylpentanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 126.10446 Da
Monoisotopic Mass: 2.2
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]+	127.111736	128.1
[M+Na]+	149.093678	136.8
[M-H]-	125.097184	132.6
[M+NH4]+	144.138283	145.6
[M+K]+	165.067618	134.9
[M+H-H2O]+	109.101720	122.3
[M+HCOO]-	171.102661	152.1
[M+CH3COO]-	185.118311	176.5
[M+Na-2H]-	147.079126	134.8
[M]+	126.10391142	132.0
[M]-	126.10500858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe