CID 12218391

2-furanol, tetrahydro-5,5-dimethyl-

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CC1(CCC(O1)O)C

InChI

InChI=1S/C6H12O2/c1-6(2)4-3-5(7)8-6/h5,7H,3-4H2,1-2H3

InChIKey

QAHXHJJVMHUXJF-UHFFFAOYSA-N

Compound name

5,5-dimethyloxolan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 116.08373 Da
Monoisotopic Mass: 0.7
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]+	117.09101	122.0
[M+Na]+	139.07295	132.1
[M+NH4]+	134.11755	132.1
[M+K]+	155.04689	127.6
[M-H]-	115.07645	124.0
[M+Na-2H]-	137.05840	127.2
[M]+	116.08318	124.0
[M]-	116.08428	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe