CID 57762515

4-isopropyltetrahydro-2h-pyran-4-ol

Structural Information

Molecular Formula

C₈H₁₆O₂

SMILES

CC(C)C1(CCOCC1)O

InChI

InChI=1S/C8H16O2/c1-7(2)8(9)3-5-10-6-4-8/h7,9H,3-6H2,1-2H3

InChIKey

XUWIXDMDHOHGHO-UHFFFAOYSA-N

Compound name

4-propan-2-yloxan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 144.11504 Da
Monoisotopic Mass: 1.1
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]+	145.12232	132.0
[M+Na]+	167.10426	142.1
[M+NH4]+	162.14886	142.0
[M+K]+	183.07820	135.6
[M-H]-	143.10776	134.5
[M+Na-2H]-	165.08971	137.6
[M]+	144.11449	134.1
[M]-	144.11559	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe