CID 100165

1,3-cyclopentanediol

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

C1CC(CC1O)O

InChI

InChI=1S/C5H10O2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2

InChIKey

NUUPJBRGQCEZSI-UHFFFAOYSA-N

Compound name

cyclopentane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6926
Patents: 102.06808 Da
Monoisotopic Mass: -0.2
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]+	103.07536	118.9
[M+Na]+	125.05730	128.1
[M+NH4]+	120.10190	127.5
[M+K]+	141.03124	125.4
[M-H]-	101.06080	119.1
[M+Na-2H]-	123.04275	122.6
[M]+	102.06753	119.9
[M]-	102.06863	119.9

Literature stripe

literature stripe

Patent stripe

patents stripe