CID 77128986

1270310-22-9

Structural Information

Molecular Formula
C9H10BrNO2
SMILES
CC1=C(C=CC=C1Br)C(C(=O)O)N
InChI
InChI=1S/C9H10BrNO2/c1-5-6(8(11)9(12)13)3-2-4-7(5)10/h2-4,8H,11H2,1H3,(H,12,13)
InChIKey
RGQUGBONHPCKMI-UHFFFAOYSA-N
Compound name
2-amino-2-(3-bromo-2-methylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.98949 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99677 143.2
[M+Na]+ 265.97871 144.9
[M+NH4]+ 261.02331 147.0
[M+K]+ 281.95265 146.6
[M-H]- 241.98221 143.0
[M+Na-2H]- 263.96416 145.2
[M]+ 242.98894 142.0
[M]- 242.99004 142.0
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.