CID 3976080

Ethyl 2-amino-3-(2,5-dichlorophenyl)propanoate hydrochloride

Structural Information

Molecular Formula
C11H13Cl2NO2
SMILES
CCOC(=O)C(CC1=C(C=CC(=C1)Cl)Cl)N
InChI
InChI=1S/C11H13Cl2NO2/c1-2-16-11(15)10(14)6-7-5-8(12)3-4-9(7)13/h3-5,10H,2,6,14H2,1H3
InChIKey
PAVSIGPSDCRKLV-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3-(2,5-dichlorophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.03235 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.03963 154.3
[M+Na]+ 284.02157 162.9
[M-H]- 260.02507 157.1
[M+NH4]+ 279.06617 172.2
[M+K]+ 299.99551 158.0
[M+H-H2O]+ 244.02961 150.2
[M+HCOO]- 306.03055 167.8
[M+CH3COO]- 320.04620 196.4
[M+Na-2H]- 282.00702 155.7
[M]+ 261.03180 158.1
[M]- 261.03290 158.1
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.