CID 138995

1,4-di-tert-butyl-2,5-dimethoxybenzene

Structural Information

Molecular Formula
C16H26O2
SMILES
CC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)C)OC
InChI
InChI=1S/C16H26O2/c1-15(2,3)11-9-14(18-8)12(16(4,5)6)10-13(11)17-7/h9-10H,1-8H3
InChIKey
ATGCJUULFWEWPY-UHFFFAOYSA-N
Compound name
1,4-ditert-butyl-2,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

394
Patents

250.19328 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.200556 159.5
[M+Na]+ 273.182498 167.8
[M-H]- 249.186004 163.9
[M+NH4]+ 268.227103 178.2
[M+K]+ 289.156438 166.5
[M+H-H2O]+ 233.190540 154.6
[M+HCOO]- 295.191481 179.2
[M+CH3COO]- 309.207131 199.6
[M+Na-2H]- 271.167946 163.9
[M]+ 250.19273142 165.1
[M]- 250.19382858 165.1
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