CID 4561836

2-amino-2-(2-bromophenyl)acetic acid

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
C1=CC=C(C(=C1)C(C(=O)O)N)Br
InChI
InChI=1S/C8H8BrNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
InChIKey
PTWAPNNQAOAJDI-UHFFFAOYSA-N
Compound name
2-amino-2-(2-bromophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

89
Patents

228.97385 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98113 139.1
[M+Na]+ 251.96307 140.7
[M+NH4]+ 247.00767 143.1
[M+K]+ 267.93701 142.4
[M-H]- 227.96657 139.0
[M+Na-2H]- 249.94852 141.6
[M]+ 228.97330 137.9
[M]- 228.97440 137.9
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