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

34
Patents

218.10553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.112806 152.6
[M+Na]+ 241.094748 160.6
[M-H]- 217.098254 155.1
[M+NH4]+ 236.139353 168.6
[M+K]+ 257.068688 158.1
[M+H-H2O]+ 201.102790 139.6
[M+HCOO]- 263.103731 171.6
[M+CH3COO]- 277.119381 202.4
[M+Na-2H]- 239.080196 154.8
[M]+ 218.10498142 147.7
[M]- 218.10607858 147.7
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