CID 3015946

1,4-bis(dimethoxymethyl)benzene

Structural Information

Molecular Formula
C12H18O4
SMILES
COC(C1=CC=C(C=C1)C(OC)OC)OC
InChI
InChI=1S/C12H18O4/c1-13-11(14-2)9-5-7-10(8-6-9)12(15-3)16-4/h5-8,11-12H,1-4H3
InChIKey
BICKDMSEOVJSQC-UHFFFAOYSA-N
Compound name
1,4-bis(dimethoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

226.12051 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.127786 150.3
[M+Na]+ 249.109728 156.6
[M-H]- 225.113234 153.8
[M+NH4]+ 244.154333 168.5
[M+K]+ 265.083668 157.2
[M+H-H2O]+ 209.117770 143.8
[M+HCOO]- 271.118711 172.8
[M+CH3COO]- 285.134361 191.3
[M+Na-2H]- 247.095176 153.8
[M]+ 226.11996142 156.3
[M]- 226.12105858 156.3
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