CID 10197707

75658-83-2

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

C1C[C@@H]([C@@H](C1)CO)CO

InChI

InChI=1S/C7H14O2/c8-4-6-2-1-3-7(6)5-9/h6-9H,1-5H2/t6-,7+

InChIKey

NXKFMUFJMLNJOB-KNVOCYPGSA-N

Compound name

[(1S,2R)-2-(hydroxymethyl)cyclopentyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 130.09938 Da
Monoisotopic Mass: 0.4
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	127.8
[M+Na]+	153.08860	136.6
[M+NH4]+	148.13320	136.0
[M+K]+	169.06254	133.4
[M-H]-	129.09210	127.9
[M+Na-2H]-	151.07405	130.9
[M]+	130.09883	128.7
[M]-	130.09993	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe