CID 146102

10396-80-2

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C15H24O2/c1-13(2,3)10-8-15(7,17)9-11(12(10)16)14(4,5)6/h8-9,17H,1-7H3
InChIKey
DQBHJILNHNRDTM-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

29
Patents

236.17763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 153.2
[M+Na]+ 259.16685 161.7
[M-H]- 235.17035 156.3
[M+NH4]+ 254.21145 173.6
[M+K]+ 275.14079 159.6
[M+H-H2O]+ 219.17489 150.1
[M+HCOO]- 281.17583 170.5
[M+CH3COO]- 295.19148 192.9
[M+Na-2H]- 257.15230 158.3
[M]+ 236.17708 154.7
[M]- 236.17818 154.7
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.