CID 23196

6744-56-5

Structural Information

Molecular Formula

C₉H₁₈O₂

SMILES

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

InChI

InChI=1S/C9H18O2/c1-4-5-9(3)6-8(10)7(2)11-9/h7-8,10H,4-6H2,1-3H3

InChIKey

YLSKCDRHHSJFSI-UHFFFAOYSA-N

Compound name

2,5-dimethyl-5-propyloxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.13068 Da
Monoisotopic Mass: 1.5
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]+	159.137956	134.0
[M+Na]+	181.119898	141.7
[M-H]-	157.123404	137.1
[M+NH4]+	176.164503	157.3
[M+K]+	197.093838	141.5
[M+H-H2O]+	141.127940	130.6
[M+HCOO]-	203.128881	154.4
[M+CH3COO]-	217.144531	175.3
[M+Na-2H]-	179.105346	138.6
[M]+	158.13013142	134.4
[M]-	158.13122858	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe