CID 54521608

L-(s)-4-cyanophenylalanine, methyl ester hcl

Structural Information

Molecular Formula
C11H12N2O2
SMILES
COC(=O)[C@H](CC1=CC=C(C=C1)C#N)N
InChI
InChI=1S/C11H12N2O2/c1-15-11(14)10(13)6-8-2-4-9(7-12)5-3-8/h2-5,10H,6,13H2,1H3/t10-/m0/s1
InChIKey
YQFIQNIOQYPOTP-JTQLQIEISA-N
Compound name
methyl (2S)-2-amino-3-(4-cyanophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

204.08987 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 147.6
[M+Na]+ 227.07909 157.6
[M+NH4]+ 222.12369 151.3
[M+K]+ 243.05303 149.5
[M-H]- 203.08259 141.7
[M+Na-2H]- 225.06454 150.1
[M]+ 204.08932 146.3
[M]- 204.09042 146.3
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