CID 22783

2-hydroxyphenoxyacetic acid

Structural Information

Molecular Formula
C8H8O4
SMILES
C1=CC=C(C(=C1)O)OCC(=O)O
InChI
InChI=1S/C8H8O4/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKey
LPXHPAYRONCQIF-UHFFFAOYSA-N
Compound name
2-(2-hydroxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

241
Patents

168.04225 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04953 132.3
[M+Na]+ 191.03147 143.6
[M+NH4]+ 186.07607 139.3
[M+K]+ 207.00541 139.4
[M-H]- 167.03497 132.3
[M+Na-2H]- 189.01692 137.6
[M]+ 168.04170 133.6
[M]- 168.04280 133.6
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