CID 5282725

3-decenoic acid

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CCCCCC/C=C/CC(=O)O

InChI

InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h7-8H,2-6,9H2,1H3,(H,11,12)/b8-7+

InChIKey

CPVUNKGURQKKKX-BQYQJAHWSA-N

Compound name

(E)-dec-3-enoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 487
Patents: 170.13068 Da
Monoisotopic Mass: 3.4
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]+	171.137956	141.6
[M+Na]+	193.119898	147.2
[M-H]-	169.123404	139.9
[M+NH4]+	188.164503	161.4
[M+K]+	209.093838	145.2
[M+H-H2O]+	153.127940	136.7
[M+HCOO]-	215.128881	162.5
[M+CH3COO]-	229.144531	178.9
[M+Na-2H]-	191.105346	144.8
[M]+	170.13013142	143.2
[M]-	170.13122858	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe