CID 100478

7443-25-6

Structural Information

Molecular Formula
C13H14O5
SMILES
COC1=CC=C(C=C1)C=C(C(=O)OC)C(=O)OC
InChI
InChI=1S/C13H14O5/c1-16-10-6-4-9(5-7-10)8-11(12(14)17-2)13(15)18-3/h4-8H,1-3H3
InChIKey
JMFYZMAVUHNCPW-UHFFFAOYSA-N
Compound name
dimethyl 2-[(4-methoxyphenyl)methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

7754
Patents

250.08412 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09140 153.6
[M+Na]+ 273.07334 160.3
[M-H]- 249.07684 157.2
[M+NH4]+ 268.11794 170.7
[M+K]+ 289.04728 159.9
[M+H-H2O]+ 233.08138 147.2
[M+HCOO]- 295.08232 175.7
[M+CH3COO]- 309.09797 192.7
[M+Na-2H]- 271.05879 155.5
[M]+ 250.08357 158.4
[M]- 250.08467 158.4
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