CID 48212

Ethyl 4-amino-2-(p-chlorophenyl)butyrate hydrochloride

Structural Information

Molecular Formula
C12H16ClNO2
SMILES
CCOC(=O)C(CCN)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H16ClNO2/c1-2-16-12(15)11(7-8-14)9-3-5-10(13)6-4-9/h3-6,11H,2,7-8,14H2,1H3
InChIKey
YKOBTKHVYUTLTE-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2-(4-chlorophenyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

241.08696 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09424 154.2
[M+Na]+ 264.07618 161.0
[M-H]- 240.07968 157.0
[M+NH4]+ 259.12078 172.2
[M+K]+ 280.05012 157.3
[M+H-H2O]+ 224.08422 148.7
[M+HCOO]- 286.08516 172.3
[M+CH3COO]- 300.10081 193.7
[M+Na-2H]- 262.06163 156.3
[M]+ 241.08641 156.7
[M]- 241.08751 156.7
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