CID 5706669

267650-37-3

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1=CC=C(C=C1)/C=C/C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1
InChIKey
MCGSKGBMVBECNS-QBBOHKLWSA-N
Compound name
(E,2S)-2-amino-5-phenylpent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

191.09464 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 143.3
[M+Na]+ 214.083858 148.7
[M-H]- 190.087364 144.7
[M+NH4]+ 209.128463 161.3
[M+K]+ 230.057798 145.7
[M+H-H2O]+ 174.091900 137.2
[M+HCOO]- 236.092841 165.0
[M+CH3COO]- 250.108491 182.3
[M+Na-2H]- 212.069306 146.6
[M]+ 191.09409142 140.4
[M]- 191.09518858 140.4
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