CID 2969

Decanoic acid

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCCCCCCCCC(=O)O

InChI

InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)

InChIKey

GHVNFZFCNZKVNT-UHFFFAOYSA-N

Compound name

decanoic acid

Related CIDs

2D Structure

compound 2d structure

11
Annotation Hits: 999
References: 118410
Patents: 172.14633 Da
Monoisotopic Mass: 4.1
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]+	173.153606	143.0
[M+Na]+	195.135548	148.2
[M-H]-	171.139054	141.2
[M+NH4]+	190.180153	162.8
[M+K]+	211.109488	146.8
[M+H-H2O]+	155.143590	138.0
[M+HCOO]-	217.144531	163.7
[M+CH3COO]-	231.160181	180.5
[M+Na-2H]-	193.120996	146.2
[M]+	172.14578142	145.5
[M]-	172.14687858	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe