CID 85826

(2,2-diethoxy-1-methylethyl)benzene

Structural Information

Molecular Formula
C13H20O2
SMILES
CCOC(C(C)C1=CC=CC=C1)OCC
InChI
InChI=1S/C13H20O2/c1-4-14-13(15-5-2)11(3)12-9-7-6-8-10-12/h6-11,13H,4-5H2,1-3H3
InChIKey
AMAXDFNIPPJNCG-UHFFFAOYSA-N
Compound name
1,1-diethoxypropan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

208.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 149.9
[M+Na]+ 231.135548 155.0
[M-H]- 207.139054 152.8
[M+NH4]+ 226.180153 168.6
[M+K]+ 247.109488 154.1
[M+H-H2O]+ 191.143590 143.4
[M+HCOO]- 253.144531 171.6
[M+CH3COO]- 267.160181 189.1
[M+Na-2H]- 229.120996 153.4
[M]+ 208.14578142 152.9
[M]- 208.14687858 152.9
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