CID 294509

D,l-n-(2-bromo-3-phenylpropionyl)-glycine

Structural Information

Molecular Formula
C11H12BrNO3
SMILES
C1=CC=C(C=C1)CC(C(=O)NCC(=O)O)Br
InChI
InChI=1S/C11H12BrNO3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)
InChIKey
FESBQYCWHVWWCV-UHFFFAOYSA-N
Compound name
2-[(2-bromo-3-phenylpropanoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.00006 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.00734 156.2
[M+Na]+ 307.98928 164.0
[M-H]- 283.99278 160.4
[M+NH4]+ 303.03388 173.9
[M+K]+ 323.96322 153.0
[M+H-H2O]+ 267.99732 154.9
[M+HCOO]- 329.99826 175.0
[M+CH3COO]- 344.01391 195.6
[M+Na-2H]- 305.97473 160.2
[M]+ 284.99951 173.4
[M]- 285.00061 173.4
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