CID 53440648

2,3-dihydroxy-3-(4-hydroxyphenyl)propanoic acid

Structural Information

Molecular Formula
C9H10O5
SMILES
C1=CC(=CC=C1C(C(C(=O)O)O)O)O
InChI
InChI=1S/C9H10O5/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,10-12H,(H,13,14)
InChIKey
LERAXVLCHXAZGX-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-3-(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

198.05283 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.060106 140.1
[M+Na]+ 221.042048 145.9
[M-H]- 197.045554 138.5
[M+NH4]+ 216.086653 156.2
[M+K]+ 237.015988 144.1
[M+H-H2O]+ 181.050090 135.0
[M+HCOO]- 243.051031 156.9
[M+CH3COO]- 257.066681 174.8
[M+Na-2H]- 219.027496 141.8
[M]+ 198.05228142 137.5
[M]- 198.05337858 137.5
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

patents stripe