CID 56936021

3z-hexenyl 3r-hydroxybutanoate

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CC/C=C\CCOC(=O)C[C@@H](C)O

InChI

InChI=1S/C10H18O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5,9,11H,3,6-8H2,1-2H3/b5-4-/t9-/m1/s1

InChIKey

YCRZFZCDOSZRKH-XRVBUDJMSA-N

Compound name

[(Z)-hex-3-enyl] (3R)-3-hydroxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.1256 Da
Monoisotopic Mass: 1.6
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	145.0
[M+Na]+	209.11482	150.4
[M-H]-	185.11832	143.4
[M+NH4]+	204.15942	164.2
[M+K]+	225.08876	149.4
[M+H-H2O]+	169.12286	140.0
[M+HCOO]-	231.12380	165.2
[M+CH3COO]-	245.13945	181.0
[M+Na-2H]-	207.10027	146.9
[M]+	186.12505	147.4
[M]-	186.12615	147.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.