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 149.2
[M+Na]+ 294.96886 157.9
[M-H]- 270.97236 153.9
[M+NH4]+ 290.01346 167.4
[M+K]+ 310.94280 146.7
[M+H-H2O]+ 254.97690 147.4
[M+HCOO]- 316.97784 170.4
[M+CH3COO]- 330.99349 194.5
[M+Na-2H]- 292.95431 155.0
[M]+ 271.97909 165.8
[M]- 271.98019 165.8
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