CID 8063

Valeraldehyde

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

CCCCC=O

InChI

InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3

InChIKey

HGBOYTHUEUWSSQ-UHFFFAOYSA-N

Compound name

pentanal

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 252
References: 93221
Patents: 86.073166 Da
Monoisotopic Mass: 1.1
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]+	87.080442	115.7
[M+Na]+	109.06238	127.1
[M+NH4]+	104.10699	124.5
[M+K]+	125.03632	120.9
[M-H]-	85.065890	115.8
[M+Na-2H]-	107.04783	120.7
[M]+	86.072617	117.2
[M]-	86.073715	117.2

Literature stripe

literature stripe

Patent stripe

patents stripe