CID 53443610

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.00513 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01241 151.0
[M+Na]+ 279.99435 159.8
[M-H]- 255.99785 155.2
[M+NH4]+ 275.03895 169.9
[M+K]+ 295.96829 148.7
[M+H-H2O]+ 240.00239 150.1
[M+HCOO]- 302.00333 169.0
[M+CH3COO]- 316.01898 192.8
[M+Na-2H]- 277.97980 153.6
[M]+ 257.00458 166.6
[M]- 257.00568 166.6
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

patents stripe