CID 131832017

3-(2,4-dihydroxy-5-methoxyphenyl)propanoic acid

Structural Information

Molecular Formula
C10H12O5
SMILES
COC1=C(C=C(C(=C1)CCC(=O)O)O)O
InChI
InChI=1S/C10H12O5/c1-15-9-4-6(2-3-10(13)14)7(11)5-8(9)12/h4-5,11-12H,2-3H2,1H3,(H,13,14)
InChIKey
PLLIJHAKLDZNQC-UHFFFAOYSA-N
Compound name
3-(2,4-dihydroxy-5-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.06847 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.075746 142.7
[M+Na]+ 235.057688 150.8
[M-H]- 211.061194 143.0
[M+NH4]+ 230.102293 159.8
[M+K]+ 251.031628 148.8
[M+H-H2O]+ 195.065730 137.5
[M+HCOO]- 257.066671 162.7
[M+CH3COO]- 271.082321 180.7
[M+Na-2H]- 233.043136 145.7
[M]+ 212.06792142 144.4
[M]- 212.06901858 144.4
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