CID 137018

1-ethylcyclopentanol

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CCC1(CCCC1)O

InChI

InChI=1S/C7H14O/c1-2-7(8)5-3-4-6-7/h8H,2-6H2,1H3

InChIKey

LPCWIFPJLFCXRS-UHFFFAOYSA-N

Compound name

1-ethylcyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2610
Patents: 114.10446 Da
Monoisotopic Mass: 1.5
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]+	115.111736	124.9
[M+Na]+	137.093678	131.5
[M-H]-	113.097184	126.9
[M+NH4]+	132.138283	150.5
[M+K]+	153.067618	130.5
[M+H-H2O]+	97.101720	121.1
[M+HCOO]-	159.102661	146.6
[M+CH3COO]-	173.118311	165.1
[M+Na-2H]-	135.079126	130.5
[M]+	114.10391142	121.6
[M]-	114.10500858	121.6

Literature stripe

literature stripe

Patent stripe

patents stripe