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
4
Annotation Hits

1
References

381
Patents

140.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 123.3
[M+Na]+ 163.07294 133.1
[M-H]- 139.07644 128.6
[M+NH4]+ 158.11754 143.4
[M+K]+ 179.04688 135.2
[M+H-H2O]+ 123.08098 117.4
[M+HCOO]- 185.08192 145.7
[M+CH3COO]- 199.09757 179.7
[M+Na-2H]- 161.05839 130.0
[M]+ 140.08317 134.5
[M]- 140.08427 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.