CID 13617

933-52-8

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

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

InChI

InChI=1S/C8H12O2/c1-7(2)5(9)8(3,4)6(7)10/h1-4H3

InChIKey

RGCDVHNITQEYPO-UHFFFAOYSA-N

Compound name

2,2,4,4-tetramethylcyclobutane-1,3-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 305
Patents: 140.08372 Da
Monoisotopic Mass: 1.7
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]+	141.09100	128.9
[M+Na]+	163.07294	136.1
[M+NH4]+	158.11754	135.7
[M+K]+	179.04688	129.5
[M-H]-	139.07644	127.0
[M+Na-2H]-	161.05839	133.6
[M]+	140.08317	128.4
[M]-	140.08427	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe