CID 60786344

1218613-28-5

Structural Information

Molecular Formula
C13H18BrNO2
SMILES
CCOC(=O)C(C1=CC=C(C=C1)Br)NC(C)C
InChI
InChI=1S/C13H18BrNO2/c1-4-17-13(16)12(15-9(2)3)10-5-7-11(14)8-6-10/h5-9,12,15H,4H2,1-3H3
InChIKey
DTOANJXXAAASEK-UHFFFAOYSA-N
Compound name
ethyl 2-(4-bromophenyl)-2-(propan-2-ylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.0521 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05938 158.8
[M+Na]+ 322.04132 159.9
[M+NH4]+ 317.08592 162.4
[M+K]+ 338.01526 160.8
[M-H]- 298.04482 158.9
[M+Na-2H]- 320.02677 160.7
[M]+ 299.05155 157.6
[M]- 299.05265 157.6
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

No patent data available for this compound.