CID 3814142

2-amino-2-(3-bromophenyl)acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

123
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 141.2
[M+Na]+ 251.96307 151.2
[M-H]- 227.96657 145.7
[M+NH4]+ 247.00767 161.3
[M+K]+ 267.93701 140.1
[M+H-H2O]+ 211.97111 140.7
[M+HCOO]- 273.97205 160.9
[M+CH3COO]- 287.98770 186.3
[M+Na-2H]- 249.94852 146.2
[M]+ 228.97330 156.8
[M]- 228.97440 156.8
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