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

2
Patents

198.05283 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06011 140.1
[M+Na]+ 221.04205 145.9
[M-H]- 197.04555 138.5
[M+NH4]+ 216.08665 156.2
[M+K]+ 237.01599 144.1
[M+H-H2O]+ 181.05009 135.0
[M+HCOO]- 243.05103 156.9
[M+CH3COO]- 257.06668 174.8
[M+Na-2H]- 219.02750 141.8
[M]+ 198.05228 137.5
[M]- 198.05338 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