CID 637775

7362-37-0

Structural Information

Molecular Formula
C11H12O5
SMILES
COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O
InChI
InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+
InChIKey
PCMORTLOPMLEFB-ONEGZZNKSA-N
Compound name
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

856
References

22865
Patents

224.06847 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07575 145.3
[M+Na]+ 247.05769 153.8
[M-H]- 223.06119 146.9
[M+NH4]+ 242.10229 162.6
[M+K]+ 263.03163 151.8
[M+H-H2O]+ 207.06573 139.8
[M+HCOO]- 269.06667 166.7
[M+CH3COO]- 283.08232 184.6
[M+Na-2H]- 245.04314 148.3
[M]+ 224.06792 148.5
[M]- 224.06902 148.5
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.