CID 96130991

(2s)-3-(4-bromophenyl)-2-(methylamino)propanoic acid hydrochloride

Structural Information

Molecular Formula
C10H12BrNO2
SMILES
CN[C@@H](CC1=CC=C(C=C1)Br)C(=O)O
InChI
InChI=1S/C10H12BrNO2/c1-12-9(10(13)14)6-7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3,(H,13,14)/t9-/m0/s1
InChIKey
BLLAWTXMWGOAEH-VIFPVBQESA-N
Compound name
(2S)-3-(4-bromophenyl)-2-(methylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

257.00513 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01241 147.8
[M+Na]+ 279.99435 149.2
[M+NH4]+ 275.03895 151.6
[M+K]+ 295.96829 150.3
[M-H]- 255.99785 147.7
[M+Na-2H]- 277.97980 150.1
[M]+ 257.00458 146.5
[M]- 257.00568 146.5
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