CID 84639

14768-15-1

Structural Information

Molecular Formula
C11H20O2
SMILES
CC(C)(C)C(=CC(=O)C(C)(C)C)O
InChI
InChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7,12H,1-6H3
InChIKey
SOZFXLUMSLXZFW-UHFFFAOYSA-N
Compound name
5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

794
Patents

184.14633 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 143.2
[M+Na]+ 207.13555 149.4
[M-H]- 183.13905 142.3
[M+NH4]+ 202.18015 163.0
[M+K]+ 223.10949 148.5
[M+H-H2O]+ 167.14359 140.0
[M+HCOO]- 229.14453 159.9
[M+CH3COO]- 243.16018 182.1
[M+Na-2H]- 205.12100 146.6
[M]+ 184.14578 143.6
[M]- 184.14688 143.6
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.