CID 23197

6744-59-8

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCCC1(CC(C(O1)C)O)CC

InChI

InChI=1S/C10H20O2/c1-4-6-10(5-2)7-9(11)8(3)12-10/h8-9,11H,4-7H2,1-3H3

InChIKey

FTHMNSPIIMRDSF-UHFFFAOYSA-N

Compound name

5-ethyl-2-methyl-5-propyloxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 172.14633 Da
Monoisotopic Mass: 2.1
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	138.7
[M+Na]+	195.135548	145.9
[M-H]-	171.139054	141.5
[M+NH4]+	190.180153	161.4
[M+K]+	211.109488	145.5
[M+H-H2O]+	155.143590	135.1
[M+HCOO]-	217.144531	158.7
[M+CH3COO]-	231.160181	178.3
[M+Na-2H]-	193.120996	142.7
[M]+	172.14578142	139.5
[M]-	172.14687858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe