CID 97933

N-(dl-2-bromopropionyl)-dl-alanine

Structural Information

Molecular Formula
C6H10BrNO3
SMILES
CC(C(=O)O)NC(=O)C(C)Br
InChI
InChI=1S/C6H10BrNO3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKey
ADQOGAQFIJCUCU-UHFFFAOYSA-N
Compound name
2-(2-bromopropanoylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

222.9844 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.99168 138.6
[M+Na]+ 245.97362 137.0
[M+NH4]+ 241.01822 140.9
[M+K]+ 261.94756 140.9
[M-H]- 221.97712 135.0
[M+Na-2H]- 243.95907 137.2
[M]+ 222.98385 135.6
[M]- 222.98495 135.6
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

No patent data available for this compound.