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: 81
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	131.9
[M+Na]+	167.10426	136.9
[M-H]-	143.10776	134.3
[M+NH4]+	162.14886	153.2
[M+K]+	183.07820	137.8
[M+H-H2O]+	127.11230	127.6
[M+HCOO]-	189.11324	149.5
[M+CH3COO]-	203.12889	171.1
[M+Na-2H]-	165.08971	138.1
[M]+	144.11449	128.4
[M]-	144.11559	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe