CID 10931374

Bicyclo[3.1.0]hexan-1-ol

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

C1CC2CC2(C1)O

InChI

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

InChIKey

NHPHSQKWQYLZSA-UHFFFAOYSA-N

Compound name

bicyclo[3.1.0]hexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 75
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	119.0
[M+Na]+	121.06238	129.0
[M-H]-	97.065890	123.4
[M+NH4]+	116.10699	141.3
[M+K]+	137.03632	127.2
[M+H-H2O]+	81.070426	115.3
[M+HCOO]-	143.07137	140.4
[M+CH3COO]-	157.08702	166.3
[M+Na-2H]-	119.04783	127.1
[M]+	98.072617	119.5
[M]-	98.073715	119.5

Literature stripe

literature stripe

Patent stripe

patents stripe