CID 11777991

2825011-66-1

Structural Information

Molecular Formula
C11H14BrNO2
SMILES
CC(CC1=CC=C(C=C1)Br)(C(=O)OC)N
InChI
InChI=1S/C11H14BrNO2/c1-11(13,10(14)15-2)7-8-3-5-9(12)6-4-8/h3-6H,7,13H2,1-2H3
InChIKey
RQDFMGWOCOAJPF-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(4-bromophenyl)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.02078 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.02806 152.3
[M+Na]+ 294.01000 153.9
[M+NH4]+ 289.05460 156.1
[M+K]+ 309.98394 155.0
[M-H]- 270.01350 152.1
[M+Na-2H]- 291.99545 154.8
[M]+ 271.02023 151.2
[M]- 271.02133 151.2
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

No patent data available for this compound.