CID 603875

3-[(4-bromophenyl)formamido]propanoic acid

Structural Information

Molecular Formula
C10H10BrNO3
SMILES
C1=CC(=CC=C1C(=O)NCCC(=O)O)Br
InChI
InChI=1S/C10H10BrNO3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6H2,(H,12,15)(H,13,14)
InChIKey
AWXOXDFIMZLYSX-UHFFFAOYSA-N
Compound name
3-[(4-bromobenzoyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

270.9844 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.99168 150.5
[M+Na]+ 293.97362 159.8
[M-H]- 269.97712 155.1
[M+NH4]+ 289.01822 169.1
[M+K]+ 309.94756 148.6
[M+H-H2O]+ 253.98166 149.4
[M+HCOO]- 315.98260 170.5
[M+CH3COO]- 329.99825 193.0
[M+Na-2H]- 291.95907 155.5
[M]+ 270.98385 168.3
[M]- 270.98495 168.3
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