CID 451586

(2s-cis)-epoxydecenol

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCCCCCC[C@@H]1[C@@H](O1)CO

InChI

InChI=1S/C10H20O2/c1-2-3-4-5-6-7-9-10(8-11)12-9/h9-11H,2-8H2,1H3/t9-,10+/m1/s1

InChIKey

MZPZDPXPQAQGJD-ZJUUUORDSA-N

Compound name

[(2S,3R)-3-heptyloxiran-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 172.14633 Da
Monoisotopic Mass: 2.7
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]+	173.15361	140.1
[M+Na]+	195.13555	148.3
[M-H]-	171.13905	143.9
[M+NH4]+	190.18015	154.3
[M+K]+	211.10949	146.7
[M+H-H2O]+	155.14359	134.0
[M+HCOO]-	217.14453	161.0
[M+CH3COO]-	231.16018	183.3
[M+Na-2H]-	193.12100	145.7
[M]+	172.14578	146.1
[M]-	172.14688	146.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.