CID 3085846

4-(diethoxymethyl)-1-ethoxy-2-methoxybenzene

Structural Information

Molecular Formula
C14H22O4
SMILES
CCOC1=C(C=C(C=C1)C(OCC)OCC)OC
InChI
InChI=1S/C14H22O4/c1-5-16-12-9-8-11(10-13(12)15-4)14(17-6-2)18-7-3/h8-10,14H,5-7H2,1-4H3
InChIKey
KOBWSOGHQMNSSS-UHFFFAOYSA-N
Compound name
4-(diethoxymethyl)-1-ethoxy-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

254.15181 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.15909 158.8
[M+Na]+ 277.14103 165.5
[M-H]- 253.14453 162.2
[M+NH4]+ 272.18563 176.3
[M+K]+ 293.11497 165.1
[M+H-H2O]+ 237.14907 152.0
[M+HCOO]- 299.15001 181.6
[M+CH3COO]- 313.16566 197.6
[M+Na-2H]- 275.12648 161.8
[M]+ 254.15126 166.5
[M]- 254.15236 166.5
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