CID 19347485

2-amino-3-(4-bromophenyl)-2-methylpropanoic acid hydrochloride

Structural Information

Molecular Formula
C10H12BrNO2
SMILES
CC(CC1=CC=C(C=C1)Br)(C(=O)O)N
InChI
InChI=1S/C10H12BrNO2/c1-10(12,9(13)14)6-7-2-4-8(11)5-3-7/h2-5H,6,12H2,1H3,(H,13,14)
InChIKey
PEGRPUVDOKWERK-UHFFFAOYSA-N
Compound name
2-amino-3-(4-bromophenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

257.00513 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.012406 150.5
[M+Na]+ 279.994348 160.2
[M-H]- 255.997854 154.8
[M+NH4]+ 275.038953 169.7
[M+K]+ 295.968288 148.6
[M+H-H2O]+ 240.002390 150.1
[M+HCOO]- 302.003331 168.9
[M+CH3COO]- 316.018981 191.4
[M+Na-2H]- 277.979796 156.2
[M]+ 257.00458142 166.9
[M]- 257.00567858 166.9
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