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
3
Annotation Hits

1
References

133
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 132.2
[M+Na]+ 191.03147 139.2
[M-H]- 167.03497 132.2
[M+NH4]+ 186.07607 150.4
[M+K]+ 207.00541 137.4
[M+H-H2O]+ 151.03951 127.2
[M+HCOO]- 213.04045 151.6
[M+CH3COO]- 227.05610 170.9
[M+Na-2H]- 189.01692 136.2
[M]+ 168.04170 130.2
[M]- 168.04280 130.2
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