CID 69842

767-05-5

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

C1CCC(C1)CCCO

InChI

InChI=1S/C8H16O/c9-7-3-6-8-4-1-2-5-8/h8-9H,1-7H2

InChIKey

IBMXMCXCSPGCDQ-UHFFFAOYSA-N

Compound name

3-cyclopentylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 997
Patents: 128.12012 Da
Monoisotopic Mass: 2.5
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	130.2
[M+Na]+	151.10934	135.4
[M-H]-	127.11284	131.6
[M+NH4]+	146.15394	153.2
[M+K]+	167.08328	134.0
[M+H-H2O]+	111.11738	125.2
[M+HCOO]-	173.11832	151.5
[M+CH3COO]-	187.13397	168.6
[M+Na-2H]-	149.09479	134.1
[M]+	128.11957	127.0
[M]-	128.12067	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe