CID 129711116

(z)-3-methyl-3-decenoic acid

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

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

InChI

InChI=1S/C11H20O2/c1-3-4-5-6-7-8-10(2)9-11(12)13/h8H,3-7,9H2,1-2H3,(H,12,13)/b10-8-

InChIKey

AMLVNNDHFHTSBV-NTMALXAHSA-N

Compound name

(Z)-3-methyldec-3-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 184.14633 Da
Monoisotopic Mass: 4.0
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]+	185.15361	146.0
[M+Na]+	207.13555	154.5
[M+NH4]+	202.18015	152.3
[M+K]+	223.10949	149.2
[M-H]-	183.13905	144.0
[M+Na-2H]-	205.12100	147.3
[M]+	184.14578	146.3
[M]-	184.14688	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe