CID 3560610

Ethyl 3-amino-3-(3-chlorophenyl)propanoate

Structural Information

Molecular Formula
C11H14ClNO2
SMILES
CCOC(=O)CC(C1=CC(=CC=C1)Cl)N
InChI
InChI=1S/C11H14ClNO2/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8/h3-6,10H,2,7,13H2,1H3
InChIKey
PQQICJYHWOLBIR-UHFFFAOYSA-N
Compound name
ethyl 3-amino-3-(3-chlorophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

227.0713 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07858 149.5
[M+Na]+ 250.06052 156.7
[M-H]- 226.06402 152.5
[M+NH4]+ 245.10512 168.0
[M+K]+ 266.03446 153.3
[M+H-H2O]+ 210.06856 144.2
[M+HCOO]- 272.06950 168.0
[M+CH3COO]- 286.08515 190.7
[M+Na-2H]- 248.04597 152.2
[M]+ 227.07075 151.7
[M]- 227.07185 151.7
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

patents stripe