CID 2764290

Methyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

97
Patents

257.00513 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01241 147.2
[M+Na]+ 279.99435 148.9
[M+NH4]+ 275.03895 151.2
[M+K]+ 295.96829 149.9
[M-H]- 255.99785 147.4
[M+Na-2H]- 277.97980 149.7
[M]+ 257.00458 146.1
[M]- 257.00568 146.1
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