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

30
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

literature stripe

Patent stripe

patents stripe