CID 12501270

1561574-59-1

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CC1CCC(C1)C(C)O

InChI

InChI=1S/C8H16O/c1-6-3-4-8(5-6)7(2)9/h6-9H,3-5H2,1-2H3

InChIKey

ZSKPGBOVKGYPJW-UHFFFAOYSA-N

Compound name

1-(3-methylcyclopentyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 128.12012 Da
Monoisotopic Mass: 2.1
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	129.9
[M+Na]+	151.10934	135.8
[M-H]-	127.11284	131.9
[M+NH4]+	146.15394	153.2
[M+K]+	167.08328	134.9
[M+H-H2O]+	111.11738	125.4
[M+HCOO]-	173.11832	150.3
[M+CH3COO]-	187.13397	170.5
[M+Na-2H]-	149.09479	131.9
[M]+	128.11957	126.5
[M]-	128.12067	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe