CID 12950421

2-pentylnonanal

Structural Information

Molecular Formula

C₁₄H₂₈O

SMILES

CCCCCCCC(CCCCC)C=O

InChI

InChI=1S/C14H28O/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h13-14H,3-12H2,1-2H3

InChIKey

DXRZZZFLQMCCFC-UHFFFAOYSA-N

Compound name

2-pentylnonanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 212.21402 Da
Monoisotopic Mass: 5.8
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]+	213.22130	156.1
[M+Na]+	235.20324	165.3
[M+NH4]+	230.24784	163.2
[M+K]+	251.17718	157.7
[M-H]-	211.20674	155.5
[M+Na-2H]-	233.18869	158.3
[M]+	212.21347	157.0
[M]-	212.21457	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe