CID 84399

3,3,5,5-tetramethylcyclohexanone

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC1(CC(=O)CC(C1)(C)C)C

InChI

InChI=1S/C10H18O/c1-9(2)5-8(11)6-10(3,4)7-9/h5-7H2,1-4H3

InChIKey

OQJMHUOCLRCSED-UHFFFAOYSA-N

Compound name

3,3,5,5-tetramethylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 810
Patents: 154.13577 Da
Monoisotopic Mass: 2.6
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]+	155.14305	134.6
[M+Na]+	177.12499	146.3
[M+NH4]+	172.16959	146.7
[M+K]+	193.09893	136.2
[M-H]-	153.12849	137.0
[M+Na-2H]-	175.11044	142.7
[M]+	154.13522	137.3
[M]-	154.13632	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe