CID 2770854

2-[(4-bromophenyl)formamido]propanoic acid

Structural Information

Molecular Formula
C10H10BrNO3
SMILES
CC(C(=O)O)NC(=O)C1=CC=C(C=C1)Br
InChI
InChI=1S/C10H10BrNO3/c1-6(10(14)15)12-9(13)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKey
MBQZBHPQRGQAJR-UHFFFAOYSA-N
Compound name
2-[(4-bromobenzoyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

270.9844 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.99168 148.3
[M+Na]+ 293.97362 149.1
[M+NH4]+ 289.01822 151.2
[M+K]+ 309.94756 151.3
[M-H]- 269.97712 147.3
[M+Na-2H]- 291.95907 149.9
[M]+ 270.98385 146.6
[M]- 270.98495 146.6
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