CID 10822685

Ethyl 2-amino-3-(4-cyanophenyl)propanoate hydrochloride

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CCOC(=O)C(CC1=CC=C(C=C1)C#N)N
InChI
InChI=1S/C12H14N2O2/c1-2-16-12(15)11(14)7-9-3-5-10(8-13)6-4-9/h3-6,11H,2,7,14H2,1H3
InChIKey
WWPHXHXFZDVVKD-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3-(4-cyanophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

218.10553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 151.6
[M+Na]+ 241.09475 161.5
[M+NH4]+ 236.13935 155.1
[M+K]+ 257.06869 153.2
[M-H]- 217.09825 145.7
[M+Na-2H]- 239.08020 153.9
[M]+ 218.10498 150.3
[M]- 218.10608 150.3
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

patents stripe