CID 601765

1,4-dimethoxy-2,3,5,6-tetramethylbenzene

Structural Information

Molecular Formula
C12H18O2
SMILES
CC1=C(C(=C(C(=C1OC)C)C)OC)C
InChI
InChI=1S/C12H18O2/c1-7-8(2)12(14-6)10(4)9(3)11(7)13-5/h1-6H3
InChIKey
CPDNGRVWRPXTGS-UHFFFAOYSA-N
Compound name
1,4-dimethoxy-2,3,5,6-tetramethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

194.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.137956 139.9
[M+Na]+ 217.119898 150.8
[M-H]- 193.123404 145.0
[M+NH4]+ 212.164503 161.1
[M+K]+ 233.093838 149.5
[M+H-H2O]+ 177.127940 135.0
[M+HCOO]- 239.128881 164.0
[M+CH3COO]- 253.144531 190.3
[M+Na-2H]- 215.105346 143.4
[M]+ 194.13013142 145.9
[M]- 194.13122858 145.9
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