CID 3020997

9-decene-1,2-diol

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

C=CCCCCCCC(CO)O

InChI

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

InChIKey

JZRZUZGKZKFMJO-UHFFFAOYSA-N

Compound name

dec-9-ene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 54
Patents: 172.14633 Da
Monoisotopic Mass: 2.4
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	143.8
[M+Na]+	195.135548	148.5
[M-H]-	171.139054	140.5
[M+NH4]+	190.180153	162.8
[M+K]+	211.109488	146.2
[M+H-H2O]+	155.143590	139.0
[M+HCOO]-	217.144531	162.9
[M+CH3COO]-	231.160181	177.8
[M+Na-2H]-	193.120996	146.4
[M]+	172.14578142	144.3
[M]-	172.14687858	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe