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

8
Patents

257.00513 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01241 150.5
[M+Na]+ 279.99435 160.2
[M-H]- 255.99785 154.8
[M+NH4]+ 275.03895 169.7
[M+K]+ 295.96829 148.6
[M+H-H2O]+ 240.00239 150.1
[M+HCOO]- 302.00333 168.9
[M+CH3COO]- 316.01898 191.4
[M+Na-2H]- 277.97980 156.2
[M]+ 257.00458 166.9
[M]- 257.00568 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