CID 12431565

Spiro[2.3]hexan-4-ol

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

C1CC2(C1O)CC2

InChI

InChI=1S/C6H10O/c7-5-1-2-6(5)3-4-6/h5,7H,1-4H2

InChIKey

RUZFXXZSPJQNDV-UHFFFAOYSA-N

Compound name

spiro[2.3]hexan-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 98.073166 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]+	99.080442	116.0
[M+Na]+	121.062384	124.7
[M-H]-	97.065890	122.0
[M+NH4]+	116.106989	130.1
[M+K]+	137.036324	126.3
[M+H-H2O]+	81.070426	107.8
[M+HCOO]-	143.071367	137.0
[M+CH3COO]-	157.087017	170.8
[M+Na-2H]-	119.047832	124.7
[M]+	98.07261742	124.7
[M]-	98.07371458	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.