CID 4553155

2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid

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]+ 259.991676 147.6
[M+Na]+ 281.973618 157.8
[M-H]- 257.977124 152.2
[M+NH4]+ 277.018223 166.7
[M+K]+ 297.947558 147.1
[M+H-H2O]+ 241.981660 146.8
[M+HCOO]- 303.982601 167.1
[M+CH3COO]- 317.998251 192.3
[M+Na-2H]- 279.959066 151.4
[M]+ 258.98385142 165.2
[M]- 258.98494858 165.2
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.