CID 138287

4541-35-9

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: 93
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	126.2
[M+Na]+	163.10934	135.5
[M-H]-	139.11284	130.6
[M+NH4]+	158.15394	154.2
[M+K]+	179.08328	134.5
[M+H-H2O]+	123.11738	123.7
[M+HCOO]-	185.11832	149.1
[M+CH3COO]-	199.13397	175.0
[M+Na-2H]-	161.09479	131.7
[M]+	140.11957	126.1
[M]-	140.12067	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe