CID 161263

2-hydroxy-2-(2-hydroxyphenyl)acetic acid

Structural Information

Molecular Formula
C8H8O4
SMILES
C1=CC=C(C(=C1)C(C(=O)O)O)O
InChI
InChI=1S/C8H8O4/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)
InChIKey
TWLSOWAQVSIFIF-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

105
Patents

168.04225 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04953 132.9
[M+Na]+ 191.03147 143.3
[M+NH4]+ 186.07607 139.4
[M+K]+ 207.00541 140.2
[M-H]- 167.03497 132.1
[M+Na-2H]- 189.01692 137.2
[M]+ 168.04170 133.8
[M]- 168.04280 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe