CID 34769

2,5-dimethyltetrahydro-3-furanol

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CC1CC(C(O1)C)O

InChI

InChI=1S/C6H12O2/c1-4-3-6(7)5(2)8-4/h4-7H,3H2,1-2H3

InChIKey

PCMJRNYEMLQEJG-UHFFFAOYSA-N

Compound name

2,5-dimethyloxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 116.08373 Da
Monoisotopic Mass: 0.5
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]+	117.09101	122.0
[M+Na]+	139.07295	130.0
[M-H]-	115.07645	125.2
[M+NH4]+	134.11755	144.9
[M+K]+	155.04689	130.5
[M+H-H2O]+	99.080990	118.1
[M+HCOO]-	161.08193	143.3
[M+CH3COO]-	175.09758	166.6
[M+Na-2H]-	137.05840	126.9
[M]+	116.08318	121.0
[M]-	116.08428	121.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe