CID 44719720

Terephthalaldehyde bis(diethyl acetal)

Structural Information

Molecular Formula
C16H26O4
SMILES
CCOC(C1=CC=C(C=C1)C(OCC)OCC)OCC
InChI
InChI=1S/C16H26O4/c1-5-17-15(18-6-2)13-9-11-14(12-10-13)16(19-7-3)20-8-4/h9-12,15-16H,5-8H2,1-4H3
InChIKey
DASGCPYQJHPYBK-UHFFFAOYSA-N
Compound name
1,4-bis(diethoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

282.1831 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.19038 169.3
[M+Na]+ 305.17232 173.8
[M-H]- 281.17582 171.9
[M+NH4]+ 300.21692 185.1
[M+K]+ 321.14626 173.4
[M+H-H2O]+ 265.18036 161.9
[M+HCOO]- 327.18130 190.3
[M+CH3COO]- 341.19695 203.2
[M+Na-2H]- 303.15777 170.5
[M]+ 282.18255 176.6
[M]- 282.18365 176.6
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