CID 51072184

50675-23-5

Structural Information

Molecular Formula

C₈H₁₆O₂

SMILES

CC1(CC(CCO1)CO)C

InChI

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

InChIKey

IHXUJOUBCCPWGV-UHFFFAOYSA-N

Compound name

(2,2-dimethyloxan-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 271
Patents: 144.11504 Da
Monoisotopic Mass: 0.8
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	130.9
[M+Na]+	167.10426	141.8
[M+NH4]+	162.14886	141.0
[M+K]+	183.07820	134.7
[M-H]-	143.10776	133.7
[M+Na-2H]-	165.08971	136.7
[M]+	144.11449	133.3
[M]-	144.11559	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe