CID 239237

2-cyclopentyl-2-propanol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CC(C)(C1CCCC1)O

InChI

InChI=1S/C8H16O/c1-8(2,9)7-5-3-4-6-7/h7,9H,3-6H2,1-2H3

InChIKey

PEYUSJVZHOLNDG-UHFFFAOYSA-N

Compound name

2-cyclopentylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 128.12012 Da
Monoisotopic Mass: 2.0
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	129.0
[M+Na]+	151.10934	138.0
[M+NH4]+	146.15394	137.9
[M+K]+	167.08328	134.8
[M-H]-	127.11284	129.5
[M+Na-2H]-	149.09479	133.2
[M]+	128.11957	130.3
[M]-	128.12067	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe