CID 58501690

135577-15-0

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C1[C@@H]2[C@@H](C2CO)CO1

InChI

InChI=1S/C6H10O2/c7-1-4-5-2-8-3-6(4)5/h4-7H,1-3H2/t4?,5-,6+

InChIKey

FUSRDACVJSHHNA-GOHHTPAQSA-N

Compound name

[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 114.06808 Da
Monoisotopic Mass: -0.3
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]+	115.07536	120.0
[M+Na]+	137.05730	130.2
[M-H]-	113.06080	125.0
[M+NH4]+	132.10190	138.9
[M+K]+	153.03124	129.0
[M+H-H2O]+	97.065340	115.5
[M+HCOO]-	159.06628	140.9
[M+CH3COO]-	173.08193	169.6
[M+Na-2H]-	135.04275	127.6
[M]+	114.06753	122.6
[M]-	114.06863	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe