CID 18072235

2-{[(4-bromophenyl)carbamoyl]amino}acetic acid

Structural Information

Molecular Formula
C9H9BrN2O3
SMILES
C1=CC(=CC=C1NC(=O)NCC(=O)O)Br
InChI
InChI=1S/C9H9BrN2O3/c10-6-1-3-7(4-2-6)12-9(15)11-5-8(13)14/h1-4H,5H2,(H,13,14)(H2,11,12,15)
InChIKey
MNYMVAJOBVMXML-UHFFFAOYSA-N
Compound name
2-[(4-bromophenyl)carbamoylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

271.97964 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.98692 150.2
[M+Na]+ 294.96886 150.3
[M+NH4]+ 290.01346 152.9
[M+K]+ 310.94280 152.2
[M-H]- 270.97236 149.6
[M+Na-2H]- 292.95431 151.8
[M]+ 271.97909 148.4
[M]- 271.98019 148.4
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

patents stripe