CID 98267

1-propylcyclopentanol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CCCC1(CCCC1)O

InChI

InChI=1S/C8H16O/c1-2-5-8(9)6-3-4-7-8/h9H,2-7H2,1H3

InChIKey

GJEILRJIINEWJO-UHFFFAOYSA-N

Compound name

1-propylcyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 237
Patents: 128.12012 Da
Monoisotopic Mass: 1.9
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]+	129.12740	129.5
[M+Na]+	151.10934	138.9
[M+NH4]+	146.15394	140.0
[M+K]+	167.08328	132.8
[M-H]-	127.11284	130.6
[M+Na-2H]-	149.09479	135.2
[M]+	128.11957	131.1
[M]-	128.12067	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe