CID 54918501

Ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate

Structural Information

Molecular Formula
C13H16ClNO2
SMILES
CCOC(=O)C(C1=CC=C(C=C1)Cl)NC2CC2
InChI
InChI=1S/C13H16ClNO2/c1-2-17-13(16)12(15-11-7-8-11)9-3-5-10(14)6-4-9/h3-6,11-12,15H,2,7-8H2,1H3
InChIKey
SSJXGLCMCDFTFC-UHFFFAOYSA-N
Compound name
ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.08696 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09424 154.3
[M+Na]+ 276.07618 167.4
[M+NH4]+ 271.12078 163.0
[M+K]+ 292.05012 162.4
[M-H]- 252.07968 164.3
[M+Na-2H]- 274.06163 163.5
[M]+ 253.08641 160.3
[M]- 253.08751 160.3
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.