CID 560050

36651-23-7

Structural Information

Molecular Formula

C₉H₁₈O₃

SMILES

CC1(OCCO1)CCCCCO

InChI

InChI=1S/C9H18O3/c1-9(11-7-8-12-9)5-3-2-4-6-10/h10H,2-8H2,1H3

InChIKey

AKFDGKDNHFXWNZ-UHFFFAOYSA-N

Compound name

5-(2-methyl-1,3-dioxolan-2-yl)pentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 174.1256 Da
Monoisotopic Mass: 0.8
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]+	175.132876	138.8
[M+Na]+	197.114818	144.5
[M-H]-	173.118324	141.5
[M+NH4]+	192.159423	159.3
[M+K]+	213.088758	145.7
[M+H-H2O]+	157.122860	134.7
[M+HCOO]-	219.123801	158.4
[M+CH3COO]-	233.139451	175.2
[M+Na-2H]-	195.100266	145.5
[M]+	174.12505142	140.5
[M]-	174.12614858	140.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.