CID 70700

1118-71-4

Structural Information

Molecular Formula
C11H20O2
SMILES
CC(C)(C)C(=O)CC(=O)C(C)(C)C
InChI
InChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3
InChIKey
YRAJNWYBUCUFBD-UHFFFAOYSA-N
Compound name
2,2,6,6-tetramethylheptane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

33
References

13271
Patents

184.14633 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 141.9
[M+Na]+ 207.13555 148.4
[M-H]- 183.13905 142.4
[M+NH4]+ 202.18015 162.4
[M+K]+ 223.10949 148.5
[M+H-H2O]+ 167.14359 138.5
[M+HCOO]- 229.14453 160.1
[M+CH3COO]- 243.16018 185.4
[M+Na-2H]- 205.12100 145.9
[M]+ 184.14578 144.4
[M]- 184.14688 144.4
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.