CID 14020433

159766-11-7

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

C1CC(CC1CO)O

InChI

InChI=1S/C6H12O2/c7-4-5-1-2-6(8)3-5/h5-8H,1-4H2

InChIKey

ZBAXTIFHKIGLEJ-UHFFFAOYSA-N

Compound name

3-(hydroxymethyl)cyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 116.08373 Da
Monoisotopic Mass: 0.0
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]+	117.09101	124.0
[M+Na]+	139.07295	130.5
[M-H]-	115.07645	124.7
[M+NH4]+	134.11755	147.0
[M+K]+	155.04689	129.1
[M+H-H2O]+	99.080990	119.7
[M+HCOO]-	161.08193	144.7
[M+CH3COO]-	175.09758	162.9
[M+Na-2H]-	137.05840	127.8
[M]+	116.08318	120.0
[M]-	116.08428	120.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.