CID 75468

1-(diethoxymethyl)-4-methoxybenzene

Structural Information

Molecular Formula
C12H18O3
SMILES
CCOC(C1=CC=C(C=C1)OC)OCC
InChI
InChI=1S/C12H18O3/c1-4-14-12(15-5-2)10-6-8-11(13-3)9-7-10/h6-9,12H,4-5H2,1-3H3
InChIKey
FTTLMNXOYOVHAG-UHFFFAOYSA-N
Compound name
1-(diethoxymethyl)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

207
Patents

210.1256 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.132876 147.2
[M+Na]+ 233.114818 153.9
[M-H]- 209.118324 150.7
[M+NH4]+ 228.159423 166.3
[M+K]+ 249.088758 153.4
[M+H-H2O]+ 193.122860 140.9
[M+HCOO]- 255.123801 170.5
[M+CH3COO]- 269.139451 188.4
[M+Na-2H]- 231.100266 151.9
[M]+ 210.12505142 152.4
[M]- 210.12614858 152.4
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