CID 3433008

2-[(3-methoxyphenyl)methylene]pentanedioic acid

Structural Information

Molecular Formula
C13H14O5
SMILES
COC1=CC=CC(=C1)C=C(CCC(=O)O)C(=O)O
InChI
InChI=1S/C13H14O5/c1-18-11-4-2-3-9(8-11)7-10(13(16)17)5-6-12(14)15/h2-4,7-8H,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKey
SQXCGCZWOLVRGM-UHFFFAOYSA-N
Compound name
2-[(3-methoxyphenyl)methylidene]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.08412 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09140 155.8
[M+Na]+ 273.07334 164.9
[M+NH4]+ 268.11794 160.5
[M+K]+ 289.04728 161.6
[M-H]- 249.07684 154.0
[M+Na-2H]- 271.05879 158.3
[M]+ 250.08357 156.0
[M]- 250.08467 156.0
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