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

154
Patents

210.1256 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13288 147.2
[M+Na]+ 233.11482 153.9
[M-H]- 209.11832 150.7
[M+NH4]+ 228.15942 166.3
[M+K]+ 249.08876 153.4
[M+H-H2O]+ 193.12286 140.9
[M+HCOO]- 255.12380 170.5
[M+CH3COO]- 269.13945 188.4
[M+Na-2H]- 231.10027 151.9
[M]+ 210.12505 152.4
[M]- 210.12615 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