CID 71391872

61827-60-9

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCCCCC1COCCC1O

InChI

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

InChIKey

QEWBTLBXWRNERO-UHFFFAOYSA-N

Compound name

3-pentyloxan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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	140.9
[M+Na]+	195.135548	145.3
[M-H]-	171.139054	142.8
[M+NH4]+	190.180153	159.4
[M+K]+	211.109488	144.9
[M+H-H2O]+	155.143590	135.4
[M+HCOO]-	217.144531	158.8
[M+CH3COO]-	231.160181	177.9
[M+Na-2H]-	193.120996	145.4
[M]+	172.14578142	138.9
[M]-	172.14687858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe