CID 95797

162221-06-9

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1=CC(=CC=C1N)OCC(=O)O
InChI
InChI=1S/C8H9NO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKey
GIFGMEWQGDEWKB-UHFFFAOYSA-N
Compound name
2-(4-aminophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

428
Patents

167.05824 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 133.1
[M+Na]+ 190.04746 143.8
[M+NH4]+ 185.09206 140.3
[M+K]+ 206.02140 139.4
[M-H]- 166.05096 134.1
[M+Na-2H]- 188.03291 138.6
[M]+ 167.05769 134.6
[M]- 167.05879 134.6
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