CID 11829691

1197-66-6

Structural Information

Molecular Formula
C9H16O2
SMILES
CC1(CC(=O)CC(O1)(C)C)C
InChI
InChI=1S/C9H16O2/c1-8(2)5-7(10)6-9(3,4)11-8/h5-6H2,1-4H3
InChIKey
NOGFHTGYPKWWRX-UHFFFAOYSA-N
Compound name
2,2,6,6-tetramethyloxan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20809
Patents

156.11504 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 128.8
[M+Na]+ 179.10426 137.2
[M-H]- 155.10776 133.7
[M+NH4]+ 174.14886 153.1
[M+K]+ 195.07820 138.1
[M+H-H2O]+ 139.11230 125.7
[M+HCOO]- 201.11324 148.9
[M+CH3COO]- 215.12889 177.2
[M+Na-2H]- 177.08971 136.6
[M]+ 156.11449 128.8
[M]- 156.11559 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe