CID 150928

3,5-di-tert-butyl-4-methoxytoluene

Structural Information

Molecular Formula
C16H26O
SMILES
CC1=CC(=C(C(=C1)C(C)(C)C)OC)C(C)(C)C
InChI
InChI=1S/C16H26O/c1-11-9-12(15(2,3)4)14(17-8)13(10-11)16(5,6)7/h9-10H,1-8H3
InChIKey
TVWAVADIILZVIY-UHFFFAOYSA-N
Compound name
1,3-ditert-butyl-2-methoxy-5-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

69
Patents

234.19836 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 155.7
[M+Na]+ 257.18758 164.1
[M-H]- 233.19108 160.1
[M+NH4]+ 252.23218 175.1
[M+K]+ 273.16152 162.2
[M+H-H2O]+ 217.19562 151.0
[M+HCOO]- 279.19656 175.2
[M+CH3COO]- 293.21221 197.6
[M+Na-2H]- 255.17303 160.0
[M]+ 234.19781 159.8
[M]- 234.19891 159.8
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