CID 105757

6-tert-butyl-2,4-dimethyl-1-methoxybenzene

Structural Information

Molecular Formula
C13H20O
SMILES
CC1=CC(=C(C(=C1)C(C)(C)C)OC)C
InChI
InChI=1S/C13H20O/c1-9-7-10(2)12(14-6)11(8-9)13(3,4)5/h7-8H,1-6H3
InChIKey
PZISTOMBMFSTQA-UHFFFAOYSA-N
Compound name
1-tert-butyl-2-methoxy-3,5-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

192.15141 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 142.8
[M+Na]+ 215.14063 152.0
[M-H]- 191.14413 147.4
[M+NH4]+ 210.18523 163.8
[M+K]+ 231.11457 150.3
[M+H-H2O]+ 175.14867 138.1
[M+HCOO]- 237.14961 164.9
[M+CH3COO]- 251.16526 188.7
[M+Na-2H]- 213.12608 147.8
[M]+ 192.15086 146.4
[M]- 192.15196 146.4
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