CID 62433

Pentyl valerate

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCCCCOC(=O)CCCC

InChI

InChI=1S/C10H20O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-9H2,1-2H3

InChIKey

FGPPDYNPZTUNIU-UHFFFAOYSA-N

Compound name

pentyl pentanoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 3124
Patents: 172.14633 Da
Monoisotopic Mass: 3.3
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]+	173.15361	141.5
[M+Na]+	195.13555	151.1
[M+NH4]+	190.18015	148.7
[M+K]+	211.10949	144.9
[M-H]-	171.13905	140.5
[M+Na-2H]-	193.12100	144.2
[M]+	172.14578	142.3
[M]-	172.14688	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe