CID 251259

15753-47-6

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

C1CCC(CC1)(CO)O

InChI

InChI=1S/C7H14O2/c8-6-7(9)4-2-1-3-5-7/h8-9H,1-6H2

InChIKey

BGZGQDDKQNYZID-UHFFFAOYSA-N

Compound name

1-(hydroxymethyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 641
Patents: 130.09938 Da
Monoisotopic Mass: 0.5
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]+	131.10666	128.1
[M+Na]+	153.08860	137.8
[M+NH4]+	148.13320	138.1
[M+K]+	169.06254	130.7
[M-H]-	129.09210	129.0
[M+Na-2H]-	151.07405	134.1
[M]+	130.09883	129.6
[M]-	130.09993	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe