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 158.2
[M+Na]+ 308.02566 167.0
[M-H]- 284.02916 163.9
[M+NH4]+ 303.07026 177.2
[M+K]+ 323.99960 156.3
[M+H-H2O]+ 268.03370 156.8
[M+HCOO]- 330.03464 178.7
[M+CH3COO]- 344.05029 199.9
[M+Na-2H]- 306.01111 162.6
[M]+ 285.03589 177.8
[M]- 285.03699 177.8
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.