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

43
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 152.6
[M+Na]+ 241.09475 160.6
[M-H]- 217.09825 155.1
[M+NH4]+ 236.13935 168.6
[M+K]+ 257.06869 158.1
[M+H-H2O]+ 201.10279 139.6
[M+HCOO]- 263.10373 171.6
[M+CH3COO]- 277.11938 202.4
[M+Na-2H]- 239.08020 154.8
[M]+ 218.10498 147.7
[M]- 218.10608 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