CID 3023092

(3,3-diethoxy-2,2-dimethylpropyl)benzene

Structural Information

Molecular Formula
C15H24O2
SMILES
CCOC(C(C)(C)CC1=CC=CC=C1)OCC
InChI
InChI=1S/C15H24O2/c1-5-16-14(17-6-2)15(3,4)12-13-10-8-7-9-11-13/h7-11,14H,5-6,12H2,1-4H3
InChIKey
ZBGABXFKVXZYAE-UHFFFAOYSA-N
Compound name
(3,3-diethoxy-2,2-dimethylpropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.17763 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 158.5
[M+Na]+ 259.166848 163.6
[M-H]- 235.170354 161.4
[M+NH4]+ 254.211453 176.4
[M+K]+ 275.140788 162.1
[M+H-H2O]+ 219.174890 152.2
[M+HCOO]- 281.175831 179.0
[M+CH3COO]- 295.191481 194.7
[M+Na-2H]- 257.152296 163.0
[M]+ 236.17708142 162.5
[M]- 236.17817858 162.5
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