CID 92837

Queen bee acid

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

C(CCCC=CC(=O)O)CCCO

InChI

InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,1-5,7,9H2,(H,12,13)

InChIKey

QHBZHVUGQROELI-UHFFFAOYSA-N

Compound name

10-hydroxydec-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 115
References: 1186
Patents: 186.1256 Da
Monoisotopic Mass: 2.2
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]+	187.13288	144.8
[M+Na]+	209.11482	152.8
[M+NH4]+	204.15942	150.4
[M+K]+	225.08876	147.7
[M-H]-	185.11832	141.9
[M+Na-2H]-	207.10027	145.6
[M]+	186.12505	144.6
[M]-	186.12615	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe