CID 4553155

500696-01-5

Structural Information

Molecular Formula
C9H10BrNO3
SMILES
COC1=C(C=C(C=C1)Br)C(C(=O)O)N
InChI
InChI=1S/C9H10BrNO3/c1-14-7-3-2-5(10)4-6(7)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)
InChIKey
GCRUCIXWROVKQR-UHFFFAOYSA-N
Compound name
2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.9844 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.99168 146.4
[M+Na]+ 281.97362 147.7
[M+NH4]+ 277.01822 149.7
[M+K]+ 297.94756 149.8
[M-H]- 257.97712 145.8
[M+Na-2H]- 279.95907 148.0
[M]+ 258.98385 144.9
[M]- 258.98495 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.