CID 15138499

Schembl5328389

Structural Information

Molecular Formula

C₁₅H₂₈O

SMILES

CCCCCCCCCCC/C=C/CC=O

InChI

InChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h12-13,15H,2-11,14H2,1H3/b13-12+

InChIKey

CLUQHDODXPPERO-OUKQBFOZSA-N

Compound name

(E)-pentadec-3-enal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 224.21402 Da
Monoisotopic Mass: 6.0
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]+	225.22130	159.6
[M+Na]+	247.20324	169.0
[M+NH4]+	242.24784	166.4
[M+K]+	263.17718	160.2
[M-H]-	223.20674	158.9
[M+Na-2H]-	245.18869	161.8
[M]+	224.21347	160.5
[M]-	224.21457	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe