CID 10966861

Dtxsid301151691

Structural Information

Molecular Formula
C16H24O2
SMILES
CC(C)(C)C1=CC(=COC)C=C(C1=O)C(C)(C)C
InChI
InChI=1S/C16H24O2/c1-15(2,3)12-8-11(10-18-7)9-13(14(12)17)16(4,5)6/h8-10H,1-7H3
InChIKey
UKYDGPJEHLNYFS-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(methoxymethylidene)cyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

248.17763 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18491 157.6
[M+Na]+ 271.16685 165.6
[M-H]- 247.17035 161.7
[M+NH4]+ 266.21145 176.2
[M+K]+ 287.14079 163.2
[M+H-H2O]+ 231.17489 153.0
[M+HCOO]- 293.17583 176.3
[M+CH3COO]- 307.19148 197.4
[M+Na-2H]- 269.15230 161.2
[M]+ 248.17708 160.3
[M]- 248.17818 160.3
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

patents stripe