CID 60811334

Ethyl 2-{[1-(3-bromophenyl)ethyl]amino}acetate

Structural Information

Molecular Formula
C12H16BrNO2
SMILES
CCOC(=O)CNC(C)C1=CC(=CC=C1)Br
InChI
InChI=1S/C12H16BrNO2/c1-3-16-12(15)8-14-9(2)10-5-4-6-11(13)7-10/h4-7,9,14H,3,8H2,1-2H3
InChIKey
CVHZHYOIAAANME-UHFFFAOYSA-N
Compound name
ethyl 2-[1-(3-bromophenyl)ethylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.03644 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.04372 155.8
[M+Na]+ 308.02566 157.4
[M+NH4]+ 303.07026 159.6
[M+K]+ 323.99960 157.7
[M-H]- 284.02916 156.1
[M+Na-2H]- 306.01111 158.2
[M]+ 285.03589 154.7
[M]- 285.03699 154.7
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.