CID 34741

29848-43-9

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

CC1CC(CO1)O

InChI

InChI=1S/C5H10O2/c1-4-2-5(6)3-7-4/h4-6H,2-3H2,1H3

InChIKey

KSTOUTVBGBEWOS-UHFFFAOYSA-N

Compound name

5-methyloxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 102.06808 Da
Monoisotopic Mass: 0.0
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]+	103.07536	118.0
[M+Na]+	125.05730	125.4
[M-H]-	101.06080	120.9
[M+NH4]+	120.10190	141.1
[M+K]+	141.03124	126.2
[M+H-H2O]+	85.065340	113.9
[M+HCOO]-	147.06628	139.6
[M+CH3COO]-	161.08193	162.4
[M+Na-2H]-	123.04275	124.0
[M]+	102.06753	116.2
[M]-	102.06863	116.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe