CID 3017453

63754-83-6

Structural Information

Molecular Formula
C13H14O7
SMILES
COC1=C(C=CC(=C1)C=C(C(=O)O)C(=O)O)OCCO
InChI
InChI=1S/C13H14O7/c1-19-11-7-8(2-3-10(11)20-5-4-14)6-9(12(15)16)13(17)18/h2-3,6-7,14H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKey
GQCJZJRQPUJBML-UHFFFAOYSA-N
Compound name
2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylidene]propanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.07394 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.081216 159.3
[M+Na]+ 305.063158 164.9
[M-H]- 281.066664 158.7
[M+NH4]+ 300.107763 172.6
[M+K]+ 321.037098 163.4
[M+H-H2O]+ 265.071200 153.0
[M+HCOO]- 327.072141 177.0
[M+CH3COO]- 341.087791 192.7
[M+Na-2H]- 303.048606 159.1
[M]+ 282.07339142 161.8
[M]- 282.07448858 161.8
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

No patent data available for this compound.