CID 6434102

Di-p-methoxyphenyl fumarate

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=CC=C(C=C1)OC(=O)/C=C\C(=O)OC2=CC=C(C=C2)OC
InChI
InChI=1S/C18H16O6/c1-21-13-3-7-15(8-4-13)23-17(19)11-12-18(20)24-16-9-5-14(22-2)6-10-16/h3-12H,1-2H3/b12-11-
InChIKey
GMPXJJLSVLCCHM-QXMHVHEDSA-N
Compound name
bis(4-methoxyphenyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

328.0947 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 173.4
[M+Na]+ 351.08392 179.9
[M-H]- 327.08742 180.1
[M+NH4]+ 346.12852 186.9
[M+K]+ 367.05786 178.2
[M+H-H2O]+ 311.09196 164.8
[M+HCOO]- 373.09290 196.2
[M+CH3COO]- 387.10855 206.1
[M+Na-2H]- 349.06937 175.7
[M]+ 328.09415 179.6
[M]- 328.09525 179.6
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