CID 118323

1-allylcyclopentan-1-ol

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C=CCC1(CCCC1)O

InChI

InChI=1S/C8H14O/c1-2-5-8(9)6-3-4-7-8/h2,9H,1,3-7H2

InChIKey

LEWSEJSBOCWBQY-UHFFFAOYSA-N

Compound name

1-prop-2-enylcyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 186
Patents: 126.10446 Da
Monoisotopic Mass: 1.7
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]+	127.11174	129.2
[M+Na]+	149.09368	138.6
[M+NH4]+	144.13828	139.4
[M+K]+	165.06762	132.4
[M-H]-	125.09718	130.0
[M+Na-2H]-	147.07913	134.7
[M]+	126.10391	130.6
[M]-	126.10501	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe