CID 69833

766-00-7

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

C1CCC(C1)CCO

InChI

InChI=1S/C7H14O/c8-6-5-7-3-1-2-4-7/h7-8H,1-6H2

InChIKey

JEXQWCBPEWHFKC-UHFFFAOYSA-N

Compound name

2-cyclopentylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2269
Patents: 114.10446 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]+	115.111736	125.6
[M+Na]+	137.093678	131.2
[M-H]-	113.097184	127.1
[M+NH4]+	132.138283	149.1
[M+K]+	153.067618	130.1
[M+H-H2O]+	97.101720	120.8
[M+HCOO]-	159.102661	147.2
[M+CH3COO]-	173.118311	165.6
[M+Na-2H]-	135.079126	130.0
[M]+	114.10391142	122.0
[M]-	114.10500858	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe