CID 95434

1-cyclopentylethanol

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CC(C1CCCC1)O

InChI

InChI=1S/C7H14O/c1-6(8)7-4-2-3-5-7/h6-8H,2-5H2,1H3

InChIKey

WPCMSUSLCWXTKB-UHFFFAOYSA-N

Compound name

1-cyclopentylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1728
Patents: 114.10446 Da
Monoisotopic Mass: 1.8
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	126.2
[M+Na]+	137.093678	131.6
[M-H]-	113.097184	127.9
[M+NH4]+	132.138283	149.7
[M+K]+	153.067618	130.9
[M+H-H2O]+	97.101720	121.5
[M+HCOO]-	159.102661	146.8
[M+CH3COO]-	173.118311	166.4
[M+Na-2H]-	135.079126	129.3
[M]+	114.10391142	122.0
[M]-	114.10500858	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe