CID 138287

2,2,5,5-tetramethylcyclopentanone

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CC1(CCC(C1=O)(C)C)C

InChI

InChI=1S/C9H16O/c1-8(2)5-6-9(3,4)7(8)10/h5-6H2,1-4H3

InChIKey

BXYUQRQZHXARGL-UHFFFAOYSA-N

Compound name

2,2,5,5-tetramethylcyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 89
Patents: 140.12012 Da
Monoisotopic Mass: 2.3
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]+	141.12740	130.3
[M+Na]+	163.10934	141.0
[M+NH4]+	158.15394	142.2
[M+K]+	179.08328	133.2
[M-H]-	139.11284	131.8
[M+Na-2H]-	161.09479	137.6
[M]+	140.11957	132.5
[M]-	140.12067	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe