CID 13443454

Bicyclo[2.1.1]hexan-2-ol

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

C1C2CC1C(C2)O

InChI

InChI=1S/C6H10O/c7-6-3-4-1-5(6)2-4/h4-7H,1-3H2

InChIKey

XCJMTEBKMJQXMO-UHFFFAOYSA-N

Compound name

bicyclo[2.1.1]hexan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	121.5
[M+Na]+	121.062384	128.2
[M-H]-	97.065890	122.0
[M+NH4]+	116.106989	145.1
[M+K]+	137.036324	129.7
[M+H-H2O]+	81.070426	115.6
[M+HCOO]-	143.071367	139.8
[M+CH3COO]-	157.087017	170.5
[M+Na-2H]-	119.047832	129.2
[M]+	98.07261742	132.4
[M]-	98.07371458	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe