CID 84639

Dtxsid80870884

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
3
Annotation Hits

0
References

594
Patents

184.14633 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.153606 143.2
[M+Na]+ 207.135548 149.4
[M-H]- 183.139054 142.3
[M+NH4]+ 202.180153 163.0
[M+K]+ 223.109488 148.5
[M+H-H2O]+ 167.143590 140.0
[M+HCOO]- 229.144531 159.9
[M+CH3COO]- 243.160181 182.1
[M+Na-2H]- 205.120996 146.6
[M]+ 184.14578142 143.6
[M]- 184.14687858 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.