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

338
Patents

250.19328 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 161.5
[M+Na]+ 273.18250 173.8
[M+NH4]+ 268.22710 169.1
[M+K]+ 289.15644 168.2
[M-H]- 249.18600 162.7
[M+Na-2H]- 271.16795 166.9
[M]+ 250.19273 163.9
[M]- 250.19383 163.9
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