CID 21600631

108180-34-3

Structural Information

Molecular Formula
C18H30O2
SMILES
CC(C)(C)C1=CC(=CC(=C1)C(C)(C)OC)C(C)(C)OC
InChI
InChI=1S/C18H30O2/c1-16(2,3)13-10-14(17(4,5)19-8)12-15(11-13)18(6,7)20-9/h10-12H,1-9H3
InChIKey
WWRUOBBEFDYYJF-UHFFFAOYSA-N
Compound name
1-tert-butyl-3,5-bis(2-methoxypropan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

485
Patents

278.22458 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.23186 167.9
[M+Na]+ 301.21380 174.7
[M-H]- 277.21730 171.7
[M+NH4]+ 296.25840 185.1
[M+K]+ 317.18774 173.4
[M+H-H2O]+ 261.22184 162.9
[M+HCOO]- 323.22278 185.3
[M+CH3COO]- 337.23843 205.7
[M+Na-2H]- 299.19925 173.0
[M]+ 278.22403 173.4
[M]- 278.22513 173.4
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