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

111
Patents

191.09464 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 143.3
[M+Na]+ 214.08386 148.7
[M-H]- 190.08736 144.7
[M+NH4]+ 209.12846 161.3
[M+K]+ 230.05780 145.7
[M+H-H2O]+ 174.09190 137.2
[M+HCOO]- 236.09284 165.0
[M+CH3COO]- 250.10849 182.3
[M+Na-2H]- 212.06931 146.6
[M]+ 191.09409 140.4
[M]- 191.09519 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