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

3
Patents

254.15181 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.159086 158.8
[M+Na]+ 277.141028 165.5
[M-H]- 253.144534 162.2
[M+NH4]+ 272.185633 176.3
[M+K]+ 293.114968 165.1
[M+H-H2O]+ 237.149070 152.0
[M+HCOO]- 299.150011 181.6
[M+CH3COO]- 313.165661 197.6
[M+Na-2H]- 275.126476 161.8
[M]+ 254.15126142 166.5
[M]- 254.15235858 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